November 07, 2013 article Open access The ChEMBL bioactivity database: an update Nucleic Acids Research DOI: 10.1093/nar/gkt1031 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 10 stored of 1,572 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Models Matter: the impact of single-step retrosynthesis on synthesis planning 2024 Digital Discovery article Computer Science Computational Drug Discovery Methods Open access 36 citations Papyrus: a large-scale curated dataset aimed at bioactivity predictions 2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 84 citations Metabolic Footprinting of Microbial Systems Based on Comprehensive In Silico Predictions of MS/MS Relevant Data 2022 Metabolites article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access 5 citations Papyrus - A large scale curated dataset aimed at bioactivity predictions 2021 preprint Computer Science Computational Drug Discovery Methods Open access 4 citations Papyrus - A large scale curated dataset aimed at bioactivity predictions 2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 8 citations Optimally Weighted Ensembles in Model-Based Regression for Drug Discovery 2021 IEEE Congress on Evolutionary Computation (CEC) conference-paper Computer Science Computational Drug Discovery Methods 0 citations Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs 2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 10 citations QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping 2020 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 50 citations Quantitative prediction of selectivity between the A1 and A2A adenosine receptors 2020 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 25 citations Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors 2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 13 citations 10 results References 0