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Protocols

FAF-Drugs specifications

Information


Unique identifier OMICS_08080
Name FAF-Drugs
Alternative names Free ADMET Filtering, FAF-Drugs4, FAF-Drugs3, FAF-Drugs2
Interface Web user interface
Restrictions to use None
Input data A small compounds file.
Input format SDV
Output data Descriptors and Alerts files and Filtered and Pan Assay Interference Compounds (PAINS) files.
Output format CSV, SDF
Programming languages Python
Computer skills Basic
Stability Stable
Maintained Yes

Subtool


  • FAF-QED

Maintainers


  • person_outline Bruno O. Villoutreix
  • person_outline David Lagorce

Publications for Free ADMET Filtering

FAF-Drugs citations

 (45)
library_books

Molecular dynamics simulation (MDS) analysis of Vibrio cholerae ToxT virulence factor complexed with docked potential inhibitors

2018
Bioinformation
PMCID: 5953856
DOI: 10.6026/97320630014101

[…] We checked the drug-likeness value of the top two virtual screening hits by FAF drugs [] and admetSAR []. The results from FAFA-Drug and MolSoft indicated that Lig N1 was fitted into Lipinski acceptable area. Moreover, the oral absorption estimation indicated that Lig N1 has […]

library_books

Discovery of Novel Bovine Viral Diarrhea Inhibitors Using Structure Based Virtual Screening on the Envelope Protein E2

2018
PMCID: 5879447
PMID: 29632860
DOI: 10.3389/fchem.2018.00079

[…] s pre-filtered for properties based on Lipinski's rules (Lipinski et al., ). Finally about a total of one million small-molecules were used. The PAINS filter was implemented through the online server FAF-Drugs3 (Lagorce et al., ). […]

library_books

IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics

2018
Sci Rep
PMCID: 5847565
PMID: 29531263
DOI: 10.1038/s41598-018-22631-z

[…] affic Lights value of zero and satisfying GSK’s 4/400, Pfizer’s 3/75, Veber rule and Egan rule as druggable. We further computed the weighted quantitative estimate of drug-likeness (QEDw) score using FAF-QED webserver for the filtered list of druggable phytochemicals within IMPPAT and TCM-Mesh. QEDw is a druggability score for small molecules proposed by Bickerton et al. which is the weighted geom […]

library_books

Discovery of novel bacterial topoisomerase I inhibitors by use of in silico docking and in vitro assays

2018
Sci Rep
PMCID: 5780498
PMID: 29362471
DOI: 10.1038/s41598-018-19944-4

[…] e pocket, as opposed to binding closer to the surface on the 5D5H crystal structure (Fig. ). The output was used to compile a list of the top binding compounds. All of the hits were scanned using the FAF-Drugs3 program to filter out pan-assay-interference compounds (PAINS), compounds that tend to interfere with screening by non-specific interactions, thus giving “positive” results in assays of all […]

library_books

Antibacterial Evaluation and Virtual Screening of New Thiazolyl Triazole Schiff Bases as Potential DNA Gyrase Inhibitors

2018
Int J Mol Sci
PMCID: 5796171
PMID: 29324679
DOI: 10.3390/ijms19010222

[…] FAF-Drugs4 [,] was used to screen all ligands in order to predict their ADME-Tox properties. The input files (previously generated SDF files) were formatted according to FAF-Drugs4’s requirements usin […]

library_books

Pharmacophore Modeling and in Silico/in Vitro Screening for Human Cytochrome P450 11B1 and Cytochrome P450 11B2 Inhibitors

2017
PMCID: 5742115
PMID: 29312923
DOI: 10.3389/fchem.2017.00104

[…] ious reasons (Baell and Holloway, ). Therefore, PAINS filters were applied to the virtual hits obtained by the pharmacophore models. For this purpose, the sd files were submitted to the online server FAF-Drugs3 (Lagorce et al., ). […]

Citations

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FAF-Drugs institution(s)
INSERM, U973, Paris, France
FAF-Drugs funding source(s)
Supported by Inserm French medical institute and Paris Diderot University.

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