ArticleNucleic acids research2015
FAF-Drugs3: a web server for compound property calculation and chemical library design.
Article in Nucleic acids research, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 98 papers.
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Who cites it
98 citing papers in PubMed.
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- Identification of a Protein Arginine Methyltransferase 7 (PRMT7)/Protein Arginine Methyltransferase 9 (PRMT9) Inhibitor.Journal of medicinal chemistry · 2023Article
- Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries.Journal of chemical information and modeling · 2023Article
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- Computational approaches for the design of modulators targeting protein-protein interactions.Expert opinion on drug discovery · 2023Review
- Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments.Molecules (Basel, Switzerland) · 2023Review
- Isolation of anticancer bioactive secondary metabolites from the sponge-derived endophytic fungiFrontiers in microbiology · 2023Article
- Resveratrol-like Compounds as SIRT1 Activators.International journal of molecular sciences · 2022Article
- Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition ofACS pharmacology & translational science · 2022Article
- Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.Journal of medicinal chemistry · 2022Article
- Inhibitor Screen Identifies Covalent Inhibitors of the Protein Histidine Phosphatase PHPT1.ACS medicinal chemistry letters · 2022Article
- Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.Journal of medicinal chemistry · 2022Article
- Development of New Potential Inhibitors of β1 Integrins through In Silico Methods-Screening and Computational Validation.Life (Basel, Switzerland) · 2022Article
38 more citing papers are in PubMed but not listed here.
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Authors and funding
5 authors.
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Abstract
Drug attrition late in preclinical or clinical development is a serious economic problem in the field of drug discovery. These problems can be linked, in part, to the quality of the compound collections used during the hit generation stage and to the selection of compounds undergoing optimization. Here, we present FAF-Drugs3, a web server that can be used for drug discovery and chemical biology projects to help in preparing compound libraries and to assist decision-making during the hit selection/lead optimization phase. Since it was first described in 2006, FAF-Drugs has been significantly modified. The tool now applies an enhanced structure curation procedure, can filter or analyze molecules with user-defined or eight predefined physicochemical filters as well as with several simple ADMET (absorption, distribution, metabolism, excretion and toxicity) rules. In addition, compounds can be filtered using an updated list of 154 hand-curated structural alerts while Pan Assay Interference compounds (PAINS) and other, generally unwanted groups are also investigated. FAF-Drugs3 offers access to user-friendly html result pages and the possibility to download all computed data. The server requires as input an SDF file of the compounds; it is open to all users and can be accessed without registration at http://fafdrugs3.mti.univ-paris-diderot.fr.
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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.