FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects (Q33371792)

26 July 2017

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title

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects (English)

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26 July 2017

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3

Hervé Galons

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Olivier Sperandio

series ordinal

2

object named as

Olivier Sperandio

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26 July 2017

Maria A Miteva

4

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Bruno O Villoutreix

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5

object named as

Bruno O Villoutreix

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26 July 2017

David Lagorce

1

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PubMed ID

18816385

26 July 2017

Hervé Galons

series ordinal

3

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26 July 2017

24 September 2008

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26 July 2017

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26 July 2017

9

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26 July 2017

396

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https://scigraph.springernature.com/pub.10.1186/1471-2105-9-396

26 July 2017

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cites work

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Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

DrugBank: a knowledgebase for drugs, drug actions and drug targets

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Renal deterioration caused by carcinogens as a consequence of free radical mediated tissue damage: a review of the protective action of melatonin.

21 June 2018

1 reference

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Aromatic amines in experimental cancer research: tissue-specific effects, an old problem and new solutions

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Bioactivation and hepatotoxicity of nitroaromatic drugs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

FAF-Drugs: free ADME/tox filtering of compound collections.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

An empirical process for the design of high-throughput screening deck filters.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

DrugBank: a comprehensive resource for in silico drug discovery and exploration

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Cytochrome P450 activation of arylamines and heterocyclic amines

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Assessment of chemical libraries for their druggability

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Characterisation of metabolites of the putative cancer chemopreventive agent quercetin and their effect on cyclo-oxygenase activity

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

In silico prediction of ADME properties: are we making progress?

21 June 2018

1 reference

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Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

A specific mechanism of nonspecific inhibition

21 June 2018

1 reference

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Drug research: myths, hype and reality

21 June 2018

1 reference

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Profiling drug-like properties in discovery research

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Nonleadlikeness and leadlikeness in biochemical screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Structure-based virtual screening: an overview

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Molecular properties that influence the oral bioavailability of drug candidates

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

The emerging importance of predictive ADME simulation in drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Development of a virtual screening method for identification of "frequent hitters" in compound libraries

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Is there a difference between leads and drugs? A historical perspective

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Property distribution of drug-related chemical databases.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

The Design of Leadlike Combinatorial Libraries

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Role of hydrazine in isoniazid-induced hepatotoxicity in a hepatocyte inflammation model

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Nitroarene reduction and generation of free radicals by cell-free extracts of wild-type, and nitroreductase-deficient and -enriched Salmonella typhimurium strains used in the umu gene induction assay.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2561050

Structure-function analyses of single nucleotide polymorphisms in human N-acetyltransferase 1

31 October 2018

1 reference

12 December 2020

Properties of known drugs. 2. Side chains

1 reference

12 December 2020

Strategic Pooling of Compounds for High-Throughput Screening

1 reference

12 December 2020

Prediction of drug absorption using multivariate statistics

1 reference

12 December 2020

Identifiers

DOI

10.1186/1471-2105-9-396

1 reference

journals/bmcbi/LagorceSGMV08

26 July 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

26 July 2017

1 reference

PubMed ID

18816385