Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.
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Web tools for predictive toxicology model buildingThe development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTSADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modelingReliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validationPrediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization processDPRESS: Localizing estimates of predictive uncertaintyQSAR modeling: where have you been? Where are you going to?Quantitative nanostructure-activity relationship modelingChallenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXROnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsSelf organising hypothesis networks: a new approach for representing and structuring SAR knowledgeTrust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling researchModeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentParadigm shift in toxicity testing and modeling.Improving the usefulness of molecular similarity-based chemical prioritization strategies.Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening.Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposureToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomesEvaluation of computational docking to identify pregnane X receptor agonists in the ToxCast database.Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators.Predicting chemical ocular toxicity using a combinatorial QSAR approachVirtual screening of CB(2) receptor agonists from bayesian network and high-throughput docking: structural insights into agonist-modulated GPCR features.Prediction of Cytochrome P450 Profiles of Environmental Chemicals with QSAR Models Built from Drug-like Molecules.Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictionsElectrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictions.QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action.Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances.Chemical predictive modelling to improve compound quality.Molecular interactions of nanomaterials and organisms: defining biomarkers for toxicity and high-throughput screening using traditional and next-generation sequencing approaches.Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.Quantitative structure-activity relationship: promising advances in drug discovery platforms.Experimental Errors in QSAR Modeling Sets: What We Can Do and What We Cannot Do.A renaissance of neural networks in drug discovery.A Round Trip from Medicinal Chemistry to Predictive Toxicology.Existing and Developing Approaches for QSAR Analysis of Mixtures.Chemoinformatic Classification Methods and their Applicability Domain.How accurately can we predict the melting points of drug-like compounds?
P2860
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P2860
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Critical assessment of QSAR mo ...... fitting by variable selection.
@en
Critical assessment of QSAR mo ...... fitting by variable selection.
@nl
type
label
Critical assessment of QSAR mo ...... fitting by variable selection.
@en
Critical assessment of QSAR mo ...... fitting by variable selection.
@nl
prefLabel
Critical assessment of QSAR mo ...... fitting by variable selection.
@en
Critical assessment of QSAR mo ...... fitting by variable selection.
@nl
P2093
P50
P356
P1476
Critical assessment of QSAR mo ...... fitting by variable selection.
@en
P2093
Alexandre Varnek
Anil Kumar Pandey
Iurii Sushko
P304
P356
10.1021/CI800151M
P577
2008-08-26T00:00:00Z