The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
FAF-Drugs3: a web server for compound property calculation and chemical library design
Open accessAbstract
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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Molecular properties that influence the oral bioavailability of drug candidates
Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm020017n · Cited by 8,420
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058
Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates
Doak, B. C., Over, B., Giordanetto, F., & Kihlberg, J. (2014) · Chemistry & Biology · doi:10.1016/j.chembiol.2014.08.013 · Cited by 835
Labbé, C. M., Laconde, G., Kuenemann, M. A., Villoutreix, B. O., & Sperandio, O. (2013) · Drug Discovery Today · doi:10.1016/j.drudis.2013.05.003 · Cited by 104
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Cited by
Counting on natural products for drug design
Rodrigues, T., Reker, D., Schneider, P., & Schneider, G. (2016) · Nature Chemistry · doi:10.1038/nchem.2479 · Cited by 1,250
Covalent inhibitors design and discovery.
De Cesco, S., Kurian, J., Dufresne, C., Mittermaier, A. K., & Moitessier, N. (2017) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2017.06.019 · Cited by 315
Lagorce, D., Douguet, D., Miteva, M. A., & Villoutreix, B. O. (2017) · Scientific Reports · doi:10.1038/srep46277 · Cited by 266
Self-citationEbola Virus Bayesian Machine Learning Models Enable New in Vitro Leads
Anantpadma, M., Lane, T., Zorn, K. M., Lingerfelt, M. A., Clark, A. M., Freundlich, J. S., Davey, R. A., Madrid, P. B., & Ekins, S. (2019) · ACS Omega · doi:10.1021/acsomega.8b02948 · Cited by 54
Metadata
- Authors
- Lagorce, D., Sperandio, O., Baell, J. B., Miteva, M. A., & Villoutreix, B. O.
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2015-04-16
- Volume
- 43
- Issue
- W1
- Pages
- W200-W207
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- OpenAlex
- W2045722951
- Cited by
- 272
- References
- 5
- FWCI
- 41.26
- Type
- journal article
- Language
- en
- Open access
- gold
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- Lagorce, D., Sperandio, O., Baell, J. B., Miteva, M. A., & Villoutreix, B. O. (2015). FAF-Drugs3: a web server for compound property calculation and chemical library design. Nucleic Acids Research. https://doi.org/10.1093/nar/gkv353
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