ArticleFuture science OA2019
Systematic identification of target set-dependent activity cliffs.
Article in Future science OA, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
7 citing papers in PubMed.
- Exploring the Role of Chemoinformatics in Accelerating Drug Discovery: A Computational Approach.Methods in molecular biology (Clifton, N.J.) · 2024Article
- Recent progress on cheminformatics approaches to epigenetic drug discovery.Drug discovery today · 2020Review
- Consensus-Based Pharmacophore Mapping for New Set ofInternational journal of molecular sciences · 2020Article
- Advances in exploring activity cliffs.Journal of computer-aided molecular design · 2020Article
- Increasing the public activity cliff knowledge base with new categories of activity cliffs.Future science OA · 2020Article
- Article
- Systematic identification of target set-dependent activity cliffs.Future science OA · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
aimGenerating a knowledge base of new activity cliffs (ACs) defined on the basis of compound set-dependent potency distributions, also taking confirmed inactive compounds into account. METHODOLOGY: Different AC definitions, representations and search criteria were rationalized and applied. DATA: For nearly 100 different target proteins, for which medicinal chemistry and biological screening data were available, target set-dependent ACs were identified. More than 20,000 target set-dependent ACs and associated information are made freely available. LIMITATIONS & NEXT STEPS: As more compound data become available for new targets, the search for target set-dependent ACs, including confirmed inactive compounds will continue. Second-generation ACs will be subjected to systematic structure-activity relationship analysis.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.