FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects. - Wikidata - wikimedia - TriplyDB

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

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

http://www.wikidata.org/entity/Q33371792

about

Open Babel: An open chemical toolbox Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?Advances in computationally modeling human oral bioavailability Chemical libraries dedicated to protein-protein interactions wwLigCSRre: a 3D ligand-based server for hit identification and optimization Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays Tyrosine kinase syk non-enzymatic inhibitors and potential anti-allergic drug-like compounds discovered by virtual and in vitro screening Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation Identification of PPARgamma partial agonists of natural origin (II): in silico prediction in natural extracts with known antidiabetic activity Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction Looking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosis Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets Redefining Cheminformatics with Intuitive Collaborative Mobile Apps Computational prediction and validation of an expert's evaluation of chemical probes Computational methods in drug discovery.Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening Limited options for low-global-warming-potential refrigerants.A molecular modeling based screening for potential inhibitors to alpha hemolysin from Staphylococcus aureus p-TSA-promoted syntheses of 5H-benzo[h] thiazolo[2,3-b]quinazoline and indeno[1,2-d] thiazolo[3,2-a]pyrimidine analogs: molecular modeling and in vitro antitumor activity against hepatocellular carcinoma.Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.Structure-based virtual screening for drug discovery: principles, applications and recent advances.Molecular docking based screening of predicted potential inhibitors for VP40 from Ebola virus.Kinase Inhibitors that Increase the Sensitivity of Methicillin Resistant Staphylococcus aureus to β-Lactam Antibiotics.Molecular docking studies of 3-bromopyruvate and its derivatives to metabolic regulatory enzymes: Implication in designing of novel anticancer therapeutic strategies.Molecular docking based virtual screening of compounds for inhibiting sortase A in L.monocytogenes.Indole-fused benzooxazepines: a new structural class of anticancer agents.Role of computer-aided drug design in modern drug discovery.Receptor-ligand molecular docking.De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approach.Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.Molecular docking based screening of Listeriolysin-O for improved inhibitors.Identification of small-molecule inhibitors against SecA by structure-based virtual ligand screening.Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.

P2860

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P2860

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

http://www.wikidata.org/entity/Q33371792

description

2008 nî lūn-bûn

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2008 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած

@hyw

2008 թվականի սեպտեմբերին հրատարակված գիտական հոդված

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2008年の論文

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2008年論文

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2008年論文

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2008年論文

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2008年論文

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2008年論文

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2008年论文

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name

FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

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FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

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type

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FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

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FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

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FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

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P356

1471-2105-9-396

P1433

BMC Bioinformatics

P1476

FAF-Drugs2: free ADME/tox filt ...... and chemical biology projects.

@en

P2093

Bruno O Villoutreix

http://www.w3.org/2001/XMLSchema#string

David Lagorce

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Hervé Galons

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P2860

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

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

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

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

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

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

The Design of Leadlike Combinatorial Libraries.

Property distribution of drug-related chemical databases.

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

The emerging importance of predictive ADME simulation in drug discovery.

P2888

1471-2105-9-396

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396

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scholarly article

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10.1186/1471-2105-9-396

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9

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P50

Olivier Sperandio

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2008-09-24T00:00:00Z

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220127154

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1038774576

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18816385

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P932

2561050

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