Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties
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A Survey of Quantitative Descriptions of Molecular StructureWhy open drug discovery needs four simple rules for licensing data and modelsLooking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsBigger data, collaborative tools and the future of predictive drug discoveryComputational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and softwareUniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike moleculesRedefining Cheminformatics with Intuitive Collaborative Mobile AppsComputational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanismsFusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation.Are bigger data sets better for machine learning? Fusing single-point and dual-event dose response data for Mycobacterium tuberculosisPredicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data.Computational modeling to accelerate the identification of substrates and inhibitors for transporters that affect drug dispositionDemQSAR: predicting human volume of distribution and clearance of drugs.Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery.Decision tree models for data mining in hit discovery.Metabolism-directed structure optimization of benzimidazole-based Francisella tularensis enoyl-reductase (FabI) inhibitors.Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis.Machine learning models identify molecules active against the Ebola virus in vitroMaking Transporter Models for Drug-Drug Interaction Prediction Mobile.Automatically updating predictive modeling workflows support decision-making in drug design.Predicting Clearance Mechanism in Drug Discovery: Extended Clearance Classification System (ECCS).Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities.A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets.Mining small-molecule screens to repurpose drugs.Documenting and harnessing the biological potential of molecules in Distributed Drug Discovery (D3) virtual catalogs.Molecular Modeling and Dynamic Simulation of Arabidopsis Thaliana Carotenoid Cleavage Dioxygenase Gene: A Comparison with Bixa orellana and Crocus Sativus.Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR.Pioneering Use of the Cloud for Development of Collaborative Drug Discovery (CDD) Database
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P2860
Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties
description
2010 nî lūn-bûn
@nan
2010 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
@nl
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Using Open Source Computationa ...... etion, and Toxicity Properties
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Using Open Source Computationa ...... etion, and Toxicity Properties
@en
Using Open Source Computationa ...... etion, and Toxicity Properties
@nl
P2093
P356
P1476
Using Open Source Computationa ...... etion, and Toxicity Properties
@en
P2093
B. A. Bunin
C. L. Waller
E. M. Gifford
R. R. Gupta
P304
P356
10.1124/DMD.110.034918
P50
P577
2010-08-06T00:00:00Z