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Growth of Ligand–Target Interaction Data in ChEMBL Is Associated with Increasing and Activity Measurement-Dependent Compound Promiscuity

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1016/j.drudis.2012.02.013openalex-snapshot
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
inferredcites →https://doi.org/10.1021/ci025535lopenalex-snapshot
Using Molecular Equivalence Numbers To Visually Explore Structural Features that Distinguish Chemical Libraries
inferredcites →https://doi.org/10.1021/ci1003637openalex-snapshot
Polypharmacology Directed Compound Data Mining: Identification of Promiscuous Chemotypes with Different Activity Profiles and Comparison to Approved Drugs
inferredcites →https://doi.org/10.1021/jm100933wopenalex-snapshot
Activity Landscape Representations for Structure−Activity Relationship Analysis
inferredcites →https://doi.org/10.1021/jm300501topenalex-snapshot
Public Domain Databases for Medicinal Chemistry
inferredcites →https://doi.org/10.1021/jm9014229openalex-snapshot
Systematic Analysis of Public Domain Compound Potency Data Identifies Selective Molecular Scaffolds across Druggable Target Families
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1038/nbt0908-983openalex-snapshot
Data completeness—the Achilles heel of drug-target networks
inferredcites →https://doi.org/10.1038/nbt1228openalex-snapshot
Global mapping of pharmacological space
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1038/nchembio.118openalex-snapshot
Network pharmacology: the next paradigm in drug discovery
inferredcites →https://doi.org/10.1038/nchembio.354openalex-snapshot
Compound bioactivities go public
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1093/nar/gks549openalex-snapshot
Customized optimization of metabolic pathways by combinatorial transcriptional engineering
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1517/17460441.2011.579100openalex-snapshot
BindingDB and ChEMBL: online compound databases for drug discovery
inferredcites →https://doi.org/10.4155/fmc.09.41openalex-snapshot
Systematic Computational Analysis of Structure–Activity Relationships: Concepts, Challenges and Recent Advances

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/minf.202000215openalex-snapshot
Cheminformatics Analysis of Fluoroquinolones and their Inhibition Potency Against Four Pathogens
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20192-1openalex-snapshot
Public Chemical Databases
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00157-3openalex-snapshot
Public Chemical Databases
inferred← citeshttps://doi.org/10.1016/j.ddtec.2015.06.001openalex-snapshot
Medicinal chemistry in the era of big data
inferred← citeshttps://doi.org/10.1016/j.drudis.2013.03.002openalex-snapshot
Compound promiscuity: what can we learn from current data?
inferred← citeshttps://doi.org/10.1016/j.ejmech.2013.08.044openalex-snapshot
Activity profile relationships between structurally similar promiscuous compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00200openalex-snapshot
Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00344openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00577openalex-snapshot
Prediction and Experimental Confirmation of Novel Peripheral Cannabinoid‑1 Receptor Antagonists
inferred← citeshttps://doi.org/10.1021/acschemneuro.9b00302openalex-snapshot
Big Data Challenges Targeting Proteins in GPCR Signaling Pathways; Combining PTML-ChEMBL Models and [35S]GTPγS Binding Assays
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch002openalex-snapshot
Complexity and Heterogeneity of Data for Chemical Information Science
inferred← citeshttps://doi.org/10.1021/bk-2016-1222.ch007openalex-snapshot
Non-Specificity of Drug-Target Interactions – Consequences for Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci300616sopenalex-snapshot
Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families
inferred← citeshttps://doi.org/10.1021/ci5005509openalex-snapshot
Influence of Search Parameters and Criteria on Compound Selection, Promiscuity, and Pan Assay Interference Characteristics
inferred← citeshttps://doi.org/10.1021/ci500694copenalex-snapshot
Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4Receptors
inferred← citeshttps://doi.org/10.1021/ci5006959openalex-snapshot
Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome
inferred← citeshttps://doi.org/10.1021/jm5008159openalex-snapshot
Current Compound Coverage of the Kinome
inferred← citeshttps://doi.org/10.1039/c3md00105aopenalex-snapshot
Promiscuity profiles of bioactive compounds: potency range and difference distributions and the relation to target numbers and families
inferred← citeshttps://doi.org/10.1039/c3md00259dopenalex-snapshot
Matched molecular pairs derived by retrosynthetic fragmentation
inferred← citeshttps://doi.org/10.1080/07391102.2017.1417161openalex-snapshot
On the relationship of anthranilic derivatives structure and the FXR (Farnesoid X receptor) agonist activity
inferred← citeshttps://doi.org/10.1080/17460441.2020.1767063openalex-snapshot
An up-to-date overview of computational polypharmacology in modern drug discovery
inferred← citeshttps://doi.org/10.1080/17460441.2023.2239700openalex-snapshot
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances
inferred← citeshttps://doi.org/10.1186/s12859-017-1845-zopenalex-snapshot
VB-MK-LMF: fusion of drugs, targets and interactions using variational Bayesian multiple kernel logistic matrix factorization
inferred← citeshttps://doi.org/10.1186/s13321-017-0232-0openalex-snapshot
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
inferred← citeshttps://doi.org/10.1186/s13321-022-00672-xopenalex-snapshot
Papyrus: a large-scale curated dataset aimed at bioactivity predictions
inferred← citeshttps://doi.org/10.1208/s12248-013-9488-0openalex-snapshot
What is the Likelihood of an Active Compound to Be Promiscuous? Systematic Assessment of Compound Promiscuity on the Basis of PubChem Confirmatory Bioassay Data
inferred← citeshttps://doi.org/10.12688/f1000research.2-144.v1openalex-snapshot
High-resolution view of compound promiscuity
inferred← citeshttps://doi.org/10.12688/f1000research.5250.1openalex-snapshot
Monitoring drug promiscuity over time
inferred← citeshttps://doi.org/10.1371/journal.pone.0061007openalex-snapshot
Comparability of Mixed IC50 Data – A Statistical Analysis
inferred← citeshttps://doi.org/10.1371/journal.pone.0080197openalex-snapshot
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inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-1rxhkopenalex-snapshot
Papyrus - A large scale curated dataset aimed at bioactivity predictions
inferred← citeshttps://doi.org/10.3390/biology9080198openalex-snapshot
Prediction of Antimalarial Drug-Decorated Nanoparticle Delivery Systems with Random Forest Models
inferred← citeshttps://doi.org/10.3390/ijms222111519openalex-snapshot
Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning
inferred← citeshttps://doi.org/10.4155/fmc-2018-0230openalex-snapshot
Ligand Potency – An Essential Estimator for Drug Design: Between intuition, Misinterpretation and Serendipity
inferred← citeshttps://doi.org/10.4155/fmc.14.13openalex-snapshot
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inferred← citeshttps://doi.org/10.5936/csbj.201401003openalex-snapshot
EXPLORING COMPOUND PROMISCUITY PATTERNS AND MULTI-TARGET ACTIVITY SPACES
inferred← citeshttps://doi.org/10.6084/m9.figshare.26559767openalex-snapshot
Additional file 1 of Papyrus: a large-scale curated dataset aimed at bioactivity predictions
inferred← citeshttps://doi.org/10.6084/m9.figshare.26559770openalex-snapshot
Additional file 2 of Papyrus: a large-scale curated dataset aimed at bioactivity predictions
inferred← citeshttps://doi.org/10.6084/m9.figshare.26559773openalex-snapshot
Additional file 3 of Papyrus: a large-scale curated dataset aimed at bioactivity predictions
inferred← citeshttps://doi.org/10.6084/m9.figshare.26559776openalex-snapshot
Additional file 4 of Papyrus: a large-scale curated dataset aimed at bioactivity predictions
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