Virtual screening of Indonesian herbal compounds as COVID-19 supportive therapy: machine learning and pharmacophore modeling approaches. 
 PMID:35922786
                                    
                                
                                    NTD-DR: Nonnegative tensor decomposition for drug repositioning. 
 PMID:35862409
                                    
                                
                                    Predicting compound-protein interaction using hierarchical graph convolutional networks. 
 PMID:35862351
                                    
                                
                                    Does adding the drug-drug similarity to drug-target interaction prediction methods make a noticeable improvement in their efficiency? 
 PMID:35836119
                                    
                                
                                    Sequence-based drug-target affinity prediction using weighted graph neural networks. 
 PMID:35715739
                                    
                                
                                    RoFDT: Identification of Drug-Target Interactions from Protein Sequence and Drug Molecular Structure Using Rotation Forest. 
 PMID:35625469
                                    
                                
                                    MSPEDTI: Prediction of Drug-Target Interactions via Molecular Structure with Protein Evolutionary Information. 
 PMID:35625468
                                    
                                
                                    A Method of Optimizing Weight Allocation in Data Integration Based on Q-Learning for Drug-Target Interaction Prediction. 
 PMID:35356288
                                    
                                
                                    Chemogenomic Approaches for Revealing Drug Target Interactions in Drug Discovery. 
 PMID:35283667
                                    
                                
                                    Sequence-based prediction of protein binding regions and drug-target interactions. 
 PMID:35135622
                                    
                                
                                    A community challenge for a pancancer drug mechanism of action inference from perturbational profile data. 
 PMID:35106508
                                    
                                
                                    The Discovery of New Drug-Target Interactions for Breast Cancer Treatment. 
 PMID:34946556
                                    
                                
                                    EmbedDTI: Enhancing the Molecular Representations via Sequence Embedding and Graph Convolutional Network for the Prediction of Drug-Target Interaction. 
 PMID:34944427
                                    
                                
                                    NeuRank: learning to rank with neural networks for drug-target interaction prediction. 
 PMID:34836495
                                    
                                
                                    A unified drug-target interaction prediction framework based on knowledge graph and recommendation system. 
 PMID:34811351
                                    
                                
                                    DaiCee: A database for anti-cancer compounds with targets and side effect profiles. 
 PMID:34803258
                                    
                                
                                    Drug-target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization. 
 PMID:34789169
                                    
                                
                                    PPDTS: Predicting potential drug-target interactions based on network similarity. 
 PMID:34783172
                                    
                                
                                    Artificial intelligence for the discovery of novel antimicrobial agents for emerging infectious diseases. 
 PMID:34748992
                                    
                                
                                    DeepStack-DTIs: Predicting Drug-Target Interactions Using LightGBM Feature Selection and Deep-Stacked Ensemble Classifier. 
 PMID:34731411
                                    
                                
                                    Comprehensive Survey of Recent Drug Discovery Using Deep Learning. 
 PMID:34576146
                                    
                                
                                    DTi2Vec: Drug-target interaction prediction using network embedding and ensemble learning. 
 PMID:34551818
                                    
                                
                                    Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method. 
 PMID:34500792
                                    
                                
                                    DTI-HeNE: a novel method for drug-target interaction prediction based on heterogeneous network embedding. 
 PMID:34479477
                                    
                                
                                    Machine learning methods, databases and tools for drug combination prediction. 
 PMID:34477201
                                    
                                
                                    SAG-DTA: Prediction of Drug-Target Affinity Using Self-Attention Graph Network. 
 PMID:34445696
                                    
                                
                                    Identification of Targeted Proteins by Jamu Formulas for Different Efficacies Using Machine Learning Approach. 
 PMID:34440610
                                    
                                
                                    Multimorbidity prediction using link prediction. 
 PMID:34385524
                                    
                                
                                    Machine learning approaches for drug combination therapies. 
 PMID:34368832
                                    
                                
                                    Potential drugs against COVID-19 revealed by gene expression profile, molecular docking and molecular dynamic simulation. 
 PMID:34306168
                                    
                                
                                    A protein interactions map of multiple organ systems associated with COVID-19 disease. 
 PMID:34261299
                                    
                                
                                    Predicting Drug-Target Interactions Based on the Ensemble Models of Multiple Feature Pairs. 
 PMID:34202954
                                    
                                
                                    Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review. 
 PMID:34110579
                                    
                                
                                    Decoding empagliflozin's molecular mechanism of action in heart failure with preserved ejection fraction using artificial intelligence. 
 PMID:34103605
                                    
                                
                                    Bi-ancestral depression GWAS in the Million Veteran Program and meta-analysis in >1.2 million individuals highlight new therapeutic directions. 
 PMID:34045744
                                    
                                
                                    A Novel Method to Predict Drug-Target Interactions Based on Large-Scale Graph Representation Learning. 
 PMID:33925568
                                    
                                
                                    A computational method for drug sensitivity prediction of cancer cell lines based on various molecular information. 
 PMID:33914775
                                    
                                
                                    AutoDTI++: deep unsupervised learning for DTI prediction by autoencoders. 
 PMID:33879050
                                    
                                
                                    Accelerate Training of Restricted Boltzmann Machines via Iterative Conditional Maximum Likelihood Estimation. 
 PMID:33859774
                                    
                                
                                    Drug-Target Interaction Prediction via Dual Laplacian Graph Regularized Logistic Matrix Factorization. 
 PMID:33855072
                                    
                                
                                    Application of network link prediction in drug discovery. 
 PMID:33845763
                                    
                                
                                    A review on compound-protein interaction prediction methods: Data, format, representation and model. 
 PMID:33841755
                                    
                                
                                    Editor's introduction to this issue (G&I 19:1, 2021). 
 PMID:33840165
                                    
                                
                                    PreDTIs: prediction of drug-target interactions based on multiple feature information using gradient boosting framework with data balancing and feature selection techniques. 
 PMID:33709119
                                    
                                
                                    Patient-Specific Network for Personalized Breast Cancer Therapy with Multi-Omics Data. 
 PMID:33670375
                                    
                                
                                    Drug-Target Interaction Prediction Based on Adversarial Bayesian Personalized Ranking. 
 PMID:33628808
                                    
                                
                                    BOW-GBDT: A GBDT Classifier Combining With Artificial Neural Network for Identifying GPCR-Drug Interaction Based on Wordbook Learning From Sequences. 
 PMID:33598456
                                    
                                
                                    SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction. 
 PMID:33573266
                                    
                                
                                    A Deep Learning-Based Approach for Identifying the Medicinal Uses of Plant-Derived Natural Compounds. 
 PMID:33519445
                                    
                                
                                    An efficient computational method for predicting drug-target interactions using weighted extreme learning machine and speed up robot features. 
 PMID:33472664
                                    
                                
                                    Artificial Intelligence in Drug Discovery: A Comprehensive Review of Data-driven and Machine Learning Approaches. 
 PMID:33437151
                                    
                                
                                    DTiGEMS+: drug-target interaction prediction using graph embedding, graph mining, and similarity-based techniques. 
 PMID:33431036
                                    
                                
                                    A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions. 
 PMID:33431024
                                    
                                
                                    Bioinformatics: new tools and applications in life science and personalized medicine. 
 PMID:33404829
                                    
                                
                                    CovMulNet19, Integrating Proteins, Diseases, Drugs, and Symptoms: A Network Medicine Approach to COVID-19. 
 PMID:33274348
                                    
                                
                                    PIMD: An Integrative Approach for Drug Repositioning Using Multiple Characterization Fusion. 
 PMID:33075523
                                    
                                
                                    Finding New Molecular Targets of Familiar Natural Products Using In Silico Target Prediction. 
 PMID:32993084
                                    
                                
                                    Ensemble Learning Prediction of Drug-Target Interactions Using GIST Descriptor Extracted from PSSM-Based Evolutionary Information. 
 PMID:32908888
                                    
                                
                                    Prediction of drug-target interactions from multi-molecular network based on LINE network representation method. 
 PMID:32894154
                                    
                                
                                    Drug-target interactions prediction using marginalized denoising model on heterogeneous networks. 
 PMID:32703151
                                    
                                
                                    Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling. 
 PMID:32663517
                                    
                                
                                    An up-to-date overview of computational polypharmacology in modern drug discovery. 
 PMID:32452701
                                    
                                
                                    Drug repositioning or target repositioning: A structural perspective of drug-target-indication relationship for available repurposed drugs. 
 PMID:32419905
                                    
                                
                                    DLS: A Link Prediction Method Based on Network Local Structure for Predicting Drug-Protein Interactions. 
 PMID:32391341
                                    
                                
                                    Identifying GPCR-drug interaction based on wordbook learning from sequences. 
 PMID:32312232
                                    
                                
                                    In Silico Discovery of Candidate Drugs against Covid-19. 
 PMID:32268515
                                    
                                
                                    Modified linear regression predicts drug-target interactions accurately. 
 PMID:32251481
                                    
                                
                                    A deep learning-based method for drug-target interaction prediction based on long short-term memory neural network. 
 PMID:32183788
                                    
                                
                                    Neural networks for protein structure and function prediction and dynamic analysis. 
 PMID:32166610
                                    
                                
                                    FRnet-DTI: Deep convolutional neural network for drug-target interaction prediction. 
 PMID:32154410
                                    
                                
                                    Automated recognition of functional compound-protein relationships in literature. 
 PMID:32126064
                                    
                                
                                    A Novel Approach for Drug-Target Interactions Prediction Based on Multimodal Deep Autoencoder. 
 PMID:32047432
                                    
                                
                                    Machine learning approaches and databases for prediction of drug-target interaction: a survey paper. 
 PMID:31950972
                                    
                                
                                    Drug-target interaction prediction using Multi Graph Regularized Nuclear Norm Minimization. 
 PMID:31945078
                                    
                                
                                    PTS: a pharmaceutical target seeker. 
 PMID:31725865
                                    
                                
                                    A Multi-Label Learning Framework for Drug Repurposing. 
 PMID:31505805
                                    
                                
                                    Drug-Target Interaction Prediction Based on Drug Fingerprint Information and Protein Sequence. 
 PMID:31430892
                                    
                                
                                    Comparison of Target Features for Predicting Drug-Target Interactions by Deep Neural Network Based on Large-Scale Drug-Induced Transcriptome Data. 
 PMID:31382356
                                    
                                
                                    In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR. 
 PMID:31244651
                                    
                                
                                    Validation strategies for target prediction methods. 
 PMID:31220208
                                    
                                
                                    DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences. 
 PMID:31199797
                                    
                                
                                    Revealing Drug-Target Interactions with Computational Models and Algorithms. 
 PMID:31052598
                                    
                                
                                    Extended Multitarget Pharmacology of Anticancer Drugs. 
 PMID:31025863
                                    
                                
                                    Network-based characterization of drug-protein interaction signatures with a space-efficient approach. 
 PMID:30953486
                                    
                                
                                    CSgator: an integrated web platform for compound set analysis. 
 PMID:30830479
                                    
                                
                                    NRLMFβ: Beta-distribution-rescored neighborhood regularized logistic matrix factorization for improving the performance of drug-target interaction prediction. 
 PMID:30793050
                                    
                                
                                    MDAD: A Special Resource for Microbe-Drug Associations. 
 PMID:30581775
                                    
                                
                                    iDEP: an integrated web application for differential expression and pathway analysis of RNA-Seq data. 
 PMID:30567491
                                    
                                
                                    Methods for Discovering and Targeting Druggable Protein-Protein Interfaces and Their Application to Repurposing. 
 PMID:30547433
                                    
                                
                                    A new chemoinformatics approach with improved strategies for effective predictions of potential drugs. 
 PMID:30311095
                                    
                                
                                    Deep learning-based transcriptome data classification for drug-target interaction prediction. 
 PMID:30255785
                                    
                                
                                    Machine Learning for Drug-Target Interaction Prediction. 
 PMID:30200333
                                    
                                
                                    Probing the chemical-biological relationship space with the Drug Target Explorer. 
 PMID:30128806
                                    
                                
                                    Discovering Health Benefits of Phytochemicals with Integrated Analysis of the Molecular Network, Chemical Properties and Ethnopharmacological Evidence. 
 PMID:30096807
                                    
                                
                                    Phenotype-oriented network analysis for discovering pharmacological effects of natural compounds. 
 PMID:30076354
                                    
                                
                                    KampoDB, database of predicted targets and functional annotations of natural medicines. 
 PMID:30046160
                                    
                                
                                    In silico identification of drug target pathways in breast cancer subtypes using pathway cross-talk inhibition. 
 PMID:29871693
                                    
                                
                                    Genome-wide association meta-analysis highlights light-induced signaling as a driver for refractive error. 
 PMID:29808027
                                    
                                
                                    Neural networks for link prediction in realistic biomedical graphs: a multi-dimensional evaluation of graph embedding-based approaches. 
 PMID:29783926
                                    
                                
                                    Docking-based inverse virtual screening: methods, applications, and challenges. 
 PMID:29577065
                                    
                                
                                    Open-source chemogenomic data-driven algorithms for predicting drug-target interactions. 
 PMID:29420684
                                    
                                
                                    In silico profiling of systemic effects of drugs to predict unexpected interactions. 
 PMID:29371651
                                    
                                
                                    Network perturbation analysis of gene transcriptional profiles reveals protein targets and mechanism of action of drugs and influenza A viral infection. 
 PMID:29325153
                                    
                                
                                    A census of P. longum's phytochemicals and their network pharmacological evaluation for identifying novel drug-like molecules against various diseases, with a special focus on neurological disorders. 
 PMID:29320554
                                    
                                
                                    Predicting inhibitory and activatory drug targets by chemically and genetically perturbed transcriptome signatures. 
 PMID:29317676
                                    
                                
                                    iDTI-ESBoost: Identification of Drug Target Interaction Using Evolutionary and Structural Features with Boosting. 
 PMID:29255285
                                    
                                
                                    Drug-Target Interaction Prediction through Label Propagation with Linear Neighborhood Information. 
 PMID:29186828
                                    
                                
                                    DDR: efficient computational method to predict drug-target interactions using graph mining and machine learning approaches. 
 PMID:29186331
                                    
                                
                                    Overcoming Obstacles to Drug Repositioning in Japan. 
 PMID:29075191
                                    
                                
                                    Drug repurposing in idiopathic pulmonary fibrosis filtered by a bioinformatics-derived composite score. 
 PMID:28974751
                                    
                                
                                    In silico prediction of drug-target interaction networks based on drug chemical structure and protein sequences. 
 PMID:28894115
                                    
                                
                                    An Ameliorated Prediction of Drug-Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features. 
 PMID:28813000
                                    
                                
                                    Screening drug-target interactions with positive-unlabeled learning. 
 PMID:28808275
                                    
                                
                                    A simple mathematical approach to the analysis of polypharmacology and polyspecificity data. 
 PMID:28690829
                                    
                                
                                    Prediction of Drug-Target Interaction Networks from the Integration of Protein Sequences and Drug Chemical Structures. 
 PMID:28678206
                                    
                                
                                    Screening the Medicines for Malaria Venture Pathogen Box across Multiple Pathogens Reclassifies Starting Points for Open-Source Drug Discovery. 
 PMID:28674055
                                    
                                
                                    Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review. 
 PMID:28577120
                                    
                                
                                    Network mirroring for drug repositioning. 
 PMID:28539121
                                    
                                
                                    Pioneering topological methods for network-based drug-target prediction by exploiting a brain-network self-organization theory. 
 PMID:28453640
                                    
                                
                                    Imatinib and spironolactone suppress hepcidin expression. 
 PMID:28385785
                                    
                                
                                    CATTLE (CAncer treatment treasury with linked evidence): An integrated knowledge base for personalized oncology research and practice. 
 PMID:28296354
                                    
                                
                                    SELF-BLM: Prediction of drug-target interactions via self-training SVM. 
 PMID:28192537
                                    
                                
                                    Link prediction in drug-target interactions network using similarity indices. 
 PMID:28095781
                                    
                                
                                    Predicting drug-target interactions by dual-network integrated logistic matrix factorization. 
 PMID:28079135
                                    
                                
                                    Elucidating the modes of action for bioactive compounds in a cell-specific manner by large-scale chemically-induced transcriptomics. 
 PMID:28071740
                                    
                                
                                    Computational polypharmacology: a new paradigm for drug discovery. 
 PMID:28067061
                                    
                                
                                    A comprehensive map of molecular drug targets. 
 PMID:27910877
                                    
                                
                                    A machine-learned computational functional genomics-based approach to drug classification. 
 PMID:27695919
                                    
                                
                                    Inferences of drug responses in cancer cells from cancer genomic features and compound chemical and therapeutic properties. 
 PMID:27645580
                                    
                                
                                    A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism. 
 PMID:27467583
                                    
                                
                                    BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions. 
 PMID:27330567
                                    
                                
                                    DrugQuest - a text mining workflow for drug association discovery. 
 PMID:27295093
                                    
                                
                                    MBROLE 2.0-functional enrichment of chemical compounds. 
 PMID:27084944
                                    
                                
                                    A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction. 
 PMID:26987649
                                    
                                
                                    DASPfind: new efficient method to predict drug-target interactions. 
 PMID:26985240
                                    
                                
                                    Drug Repositioning for Cancer Therapy Based on Large-Scale Drug-Induced Transcriptional Signatures. 
 PMID:26954019
                                    
                                
                                    Neighborhood Regularized Logistic Matrix Factorization for Drug-Target Interaction Prediction. 
 PMID:26872142
                                    
                                
                                    Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique. 
 PMID:26851083
                                    
                                
                                    A multiple kernel learning algorithm for drug-target interaction prediction. 
 PMID:26801218
                                    
                                
                                    Predicting target proteins for drug candidate compounds based on drug-induced gene expression data in a chemical structure-independent manner. 
 PMID:26684652
                                    
                                
                                    STITCH 5: augmenting protein-chemical interaction networks with tissue and affinity data. 
 PMID:26590256
                                    
                                
                                    PharmDB-K: Integrated Bio-Pharmacological Network Database for Traditional Korean Medicine. 
 PMID:26555441
                                    
                                
                                    Systematic analysis of the associations between adverse drug reactions and pathways. 
 PMID:26495310
                                    
                                
                                    2D and 3D similarity landscape analysis identifies PARP as a novel off-target for the drug Vatalanib. 
 PMID:26403354
                                    
                                
                                    An eigenvalue transformation technique for predicting drug-target interaction. 
 PMID:26350590
                                    
                                
                                    Elucidating Compound Mechanism of Action by Network Perturbation Analysis. 
 PMID:26186195
                                    
                                
                                    Large-scale Direct Targeting for Drug Repositioning and Discovery. 
 PMID:26155766
                                    
                                
                                    Deciding when to stop: efficient experimentation to learn to predict drug-target interactions. 
 PMID:26153434
                                    
                                
                                    A weighted and integrated drug-target interactome: drug repurposing for schizophrenia as a use case. 
 PMID:26100720
                                    
                                
                                    Building a virtual ligand screening pipeline using free software: a survey. 
 PMID:26094053
                                    
                                
                                    Improving compound-protein interaction prediction by building up highly credible negative samples. 
 PMID:26072486
                                    
                                
                                    Determining similarity of scientific entities in annotation datasets. 
 PMID:25725057
                                    
                                
                                    Text mining in cancer gene and pathway prioritization. 
 PMID:25392685
                                    
                                
                                    Cancer in silico drug discovery: a systems biology tool for identifying candidate drugs to target specific molecular tumor subtypes. 
 PMID:25349306
                                    
                                
                                    Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines. 
 PMID:25191698
                                    
                                
                                    DINIES: drug-target interaction network inference engine based on supervised analysis. 
 PMID:24838565
                                    
                                
                                    ProTox: a web server for the in silico prediction of rodent oral toxicity. 
 PMID:24838562
                                    
                                
                                    Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assays. 
 PMID:24805064
                                    
                                
                                    ASDCD: antifungal synergistic drug combination database. 
 PMID:24475134
                                    
                                
                                    STITCH 4: integration of protein-chemical interactions with user data. 
 PMID:24293645
                                    
                                
                                    Exploring drug-target interaction networks of illicit drugs. 
 PMID:24268016
                                    
                                
                                    Drug repositioning by kernel-based integration of molecular structure, molecular activity, and phenotype data. 
 PMID:24244318
                                    
                                
                                    Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines. 
 PMID:24239728
                                    
                                
                                    Computational methods for drug design and discovery: focus on China. 
 PMID:24035675
                                    
                                
                                    Open-source approaches for the repurposing of existing or failed candidate drugs: learning from and applying the lessons across diseases. 
 PMID:23966771
                                    
                                
                                    Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile. 
 PMID:23840562
                                    
                                
                                    Predicting drug-target interactions using restricted Boltzmann machines. 
 PMID:23812976
                                    
                                
                                    Network pharmacology: a new approach for chinese herbal medicine research. 
 PMID:23762149
                                    
                                
                                    GeneSetDB: A comprehensive meta-database, statistical and visualisation framework for gene set analysis. 
 PMID:23650583
                                    
                                
                                    Systematic identification of proteins that elicit drug side effects. 
 PMID:23632385
                                    
                                
                                    Remodeling the proteostasis network to rescue glucocerebrosidase variants by inhibiting ER-associated degradation and enhancing ER folding. 
 PMID:23620750
                                    
                                
                                    Network pharmacology strategies toward multi-target anticancer therapies: from computational models to experimental design principles. 
 PMID:23530504
                                    
                                
                                    Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review. 
 PMID:23384594
                                    
                                
                                    Chapter 3: Small molecules and disease. 
 PMID:23300405
                                    
                                
                                    Identification of pharmacological targets in amyotrophic lateral sclerosis through genomic analysis of deregulated genes and pathways. 
 PMID:23204922
                                    
                                
                                    Effects of protein interaction data integration, representation and reliability on the use of network properties for drug target prediction. 
 PMID:23146171
                                    
                                
                                    Relating drug-protein interaction network with drug side effects. 
 PMID:22962476
                                    
                                
                                    DTome: a web-based tool for drug-target interactome construction. 
 PMID:22901092
                                    
                                
                                    Toward rational fragment-based lead design without 3D structures. 
 PMID:22889313
                                    
                                
                                    Assessing drug target association using semantic linked data. 
 PMID:22859915
                                    
                                
                                    A strategy based on protein-protein interface motifs may help in identifying drug off-targets. 
 PMID:22817115
                                    
                                
                                    INDI: a computational framework for inferring drug interactions and their associated recommendations. 
 PMID:22806140
                                    
                                
                                    Public domain databases for medicinal chemistry. 
 PMID:22731701
                                    
                                
                                    Relax with CouchDB--into the non-relational DBMS era of bioinformatics. 
 PMID:22609849
                                    
                                
                                    Prediction of drug-target interactions and drug repositioning via network-based inference. 
 PMID:22589709
                                    
                                
                                    Drug repositioning for personalized medicine. 
 PMID:22494857
                                    
                                
                                    DetoxiProt: an integrated database for detoxification proteins. 
 PMID:22369658
                                    
                                
                                    STITCH 3: zooming in on protein-chemical interactions. 
 PMID:22075997
                                    
                                
                                    SuperTarget goes quantitative: update on drug-target interactions. 
 PMID:22067455
                                    
                                
                                    Network neighbors of drug targets contribute to drug side-effect similarity. 
 PMID:21765950
                                    
                                
                                    PREDICT: a method for inferring novel drug indications with application to personalized medicine. 
 PMID:21654673
                                    
                                
                                    Combinations of protein-chemical complex structures reveal new targets for established drugs. 
 PMID:21573205
                                    
                                
                                    Discovering the targets of drugs via computational systems biology. 
 PMID:21566122
                                    
                                
                                    Structure-based systems biology for analyzing off-target binding. 
 PMID:21292475
                                    
                                
                                    HIT: linking herbal active ingredients to targets. 
 PMID:21097881
                                    
                                
                                    PROMISCUOUS: a database for network-based drug-repositioning. 
 PMID:21071407
                                    
                                
                                    DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. 
 PMID:21059682
                                    
                                
                                    CancerResource: a comprehensive database of cancer-relevant proteins and compound interactions supported by experimental knowledge. 
 PMID:20952398
                                    
                                
                                    Antimalarial drug targets in Plasmodium falciparum predicted by stage-specific metabolic network analysis. 
 PMID:20807400
                                    
                                
                                    Role of systems pharmacology in understanding drug adverse events. 
 PMID:20803507
                                    
                                
                                    GPCRs, G-proteins, effectors and their interactions: human-gpDB, a database employing visualization tools and data integration techniques. 
 PMID:20689020
                                    
                                
                                    Targeting breast cancer stem cells. 
 PMID:20599450
                                    
                                
                                    Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework. 
 PMID:20529913
                                    
                                
                                    Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data. 
 PMID:20478034
                                    
                                
                                    iPHACE: integrative navigation in pharmacological space. 
 PMID:20156991
                                    
                                
                                    STITCH 2: an interaction network database for small molecules and proteins. 
 PMID:19897548
                                    
                                
                                    Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins. 
 PMID:19785456
                                    
                                
                                    Supervised prediction of drug-target interactions using bipartite local models. 
 PMID:19605421
                                    
                                
                                    A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery. 
 PMID:19478004
                                    
                                
                                    Generating genome-scale candidate gene lists for pharmacogenomics. 
 PMID:19369935
                                    
                                
                                    Prediction of drug-target interaction networks from the integration of chemical and genomic spaces. 
 PMID:18586719
                                    
                                
                                    SuperPred: drug classification and target prediction. 
 PMID:18499712
                                    
                                
                                    STITCH: interaction networks of chemicals and proteins. 
 PMID:18084021