SureChEMBL
SureChEMBL is a publicly available large-scale resource containing compounds extracted from the full text, images and attachments of patent documents. The data are extracted from the patent literature according to an automated text and image-mining pipeline on a daily basis. SureChEMBL provides access to a previously unavailable, open and timely set of annotated compound-patent associations, complemented with sophisticated combined structure and keyword-based search capabilities against the compound repository and patent document corpus. Currently, the database contains 17 million compounds extracted from 14 million patent documents.
Description
More detailed information about this field from each metasource.
SureChEMBL is a publicly available large-scale resource containing compounds extracted from the full text, images and attachments of patent documents. The data are extracted from the patent literature according to an automated text and image-mining pipeline on a daily basis. SureChEMBL provides access to a previously unavailable, open and timely set of annotated compound-patent associations, complemented with sophisticated combined structure and keyword-based search capabilities against the compound repository and patent document corpus. Currently, the database contains 17 million compounds extracted from 14 million patent documents.
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
Chemical compounds extracted from patent documents
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
Webpage:
https://www.surechembl.orgWebpage
More detailed information about this field from each metasource.
https://www.surechembl.org
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
https://www.surechembl.org/search/
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
Publications:
Publications
More detailed information about this field from each metasource.
SureChEMBL: a large-scale, chemically annotated patent document database
PMID: 26582922
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
http://dx.doi.org/10.1093/nar/gkv1253
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657
Publications
More detailed information about this field from each metasource.
SureChEMBL: a large-scale, chemically annotated patent document database
PMID: 26582922
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
http://dx.doi.org/10.1093/nar/gkv1253
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
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SureChEMBL: a large-scale, chemically annotated patent document database
PubMed citations: 46.
46 articles citing: SureChEMBL: a large-scale, chemically annotated patent document database
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system. PMID:35819579
Rings in Clinical Trials and Drugs: Present and Future. PMID:35730680
Intelligent pharmaceutical patent search on a near-term gate-based quantum computer. PMID:34997034
V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. PMID:34769065
Congenericity of Claimed Compounds in Patent Applications. PMID:34500686
Active Learning and the Potential of Neural Networks Accelerate Molecular Screening for the Design of a New Molecule Effective against SARS-CoV-2. PMID:34124259
Combining generative artificial intelligence and on-chip synthesis for de novo drug design. PMID:34117066
Generative chemistry: drug discovery with deep learning generative models. PMID:33543405
CHEMSCANNER: extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files. PMID:33431008
IntelliPatent: a web-based intelligent system for fast chemical patent claim drafting. PMID:33430984
MaRe: Processing Big Data with application containers on Apache Spark. PMID:32369166
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors. PMID:32343143
Opening up connectivity between documents, structures and bioactivity. PMID:32280387
Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. PMID:32237114
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. PMID:32187356
BIOPEP-UWM Database of Bioactive Peptides: Current Opportunities. PMID:31783634
Therapeutic target database 2020: enriched resource for facilitating research and early development of targeted therapeutics. PMID:31691823
In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR. PMID:31244651
Automatic identification of relevant chemical compounds from patents. PMID:30698776
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning. PMID:30622878
Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation. PMID:30405170
PubChem 2019 update: improved access to chemical data. PMID:30371825
Approaches to target tractability assessment - a practical perspective. PMID:30108951
Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY. PMID:30087946
Efficient iterative virtual screening with Apache Spark and conformal prediction. PMID:29492726
Unexplored therapeutic opportunities in the human genome. PMID:29472638
De Novo Design of Bioactive Small Molecules by Artificial Intelligence. PMID:29319225
The European Bioinformatics Institute in 2017: data coordination and integration. PMID:29186510
Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses. PMID:29086108
Exploring sets of molecules from patents and relationships to other active compounds in chemical space networks. PMID:28871390
Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space. PMID:28630414
Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery. PMID:28602100
Large-scale virtual screening on public cloud resources with Apache Spark. PMID:28316653
Computational chemistry at Janssen. PMID:27995515
DNA-encoded chemistry: enabling the deeper sampling of chemical space. PMID:27932801
The ChEMBL database in 2017. PMID:27899562
Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns. PMID:27774140
Mapping the patent landscape of synthetic biology for fine chemical production pathways. PMID:27489206
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design? PMID:27482722
BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry. PMID:27464907
Getting the most out of PubChem for virtual screening. PMID:27454129
How Reliable Are Ligand-Centric Methods for Target Fishing? PMID:27148522
Chemical entity recognition in patents by combining dictionary-based and statistical approaches. PMID:27141091
Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources. PMID:27092246
The 2016 database issue of Nucleic Acids Research and an updated molecular biology database collection. PMID:26740669
The European Bioinformatics Institute in 2016: Data growth and integration. PMID:26673705 - http://dx.doi.org/10.1093/nar/gkv1253
Tags:
Tags
More detailed information about this field from each metasource.
chemical formula
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
chemical structure
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
image
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
patent
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
text mining
metasource: Fairsharing.org
version: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
other molecular biology databases
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657
drugs and drug design
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657
Tags
More detailed information about this field from each metasource.
chemical formula
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
chemical structure
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
image
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
patent
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
text mining
metasource: Fairsharing.orgversion: FAIRsharing.org: SureChEMBL; SureChEMBL; DOI: https://doi.org/10.25504/FAIRsharing.q2n5wk; Last edited: April 26, 2021, 4:06 p.m.; Last accessed: Jan 03 2022 7:08 p.m.
other molecular biology databases
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
drugs and drug design
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
chemical formula chemical structure patent text mining molecular biology drug
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