Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research
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Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesChemoinformatics: Achievements and Challenges, a Personal ViewConsistency of systematic chemical identifiers within and between small-molecule databasesHow frequently do clusters occur in hierarchical clustering analysis? A graph theoretical approach to studying ties in proximityA ranking method for the concurrent learning of compounds with various activity profiles.UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layersAmbiguity of non-systematic chemical identifiers within and between small-molecule databasesA reliable computational workflow for the selection of optimal screening librariesMetrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modelingInternet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceQSAR modeling: where have you been? Where are you going to?Quantitative nanostructure-activity relationship modelingPredicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compoundsUnderstanding and classifying metabolite space and metabolite-likenessWhy open drug discovery needs four simple rules for licensing data and modelsA structure-based model for predicting serum albumin bindingIn silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoniA methodology for the design of experiments in computational intelligence with multiple regression modelsActivity, assay and target data curation and quality in the ChEMBL databaseRedefining Cheminformatics with Intuitive Collaborative Mobile AppsComputer-aided design of carbon nanotubes with the desired bioactivity and safety profilesMolecular descriptor data explain market prices of a large commercial chemical compound libraryCERAPP: Collaborative Estrogen Receptor Activity Prediction ProjectPublic (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentChembench: A Publicly Accessible, Integrated Cheminformatics Portal.How Open Data Shapes In Silico Transporter Modeling.From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions.Data set modelability by QSARHTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data.Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data.Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches.Dealing with the Data Deluge: Handling the Multitude Of Chemical Biology Data Sources.Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation.Standardizing benchmark dose calculations to improve science-based decisions in human health assessments.Computer-Assisted Decision Support for Student Admissions Based on Their Predicted Academic Performance.Chembench: a cheminformatics workbench.Predictive in silico studies of human 5-hydroxytryptamine receptor subtype 2B (5-HT2B) and valvular heart diseaseAssessing toxicological data quality: basic principles, existing schemes and current limitations.Consensus QSAR model for identifying novel H5N1 inhibitors.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.
P2860
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P2860
Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research
description
2010 nî lūn-bûn
@nan
2010 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի հուլիսին 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
Trust, but verify: on the impo ...... ics and QSAR modeling research
@ast
Trust, but verify: on the impo ...... ics and QSAR modeling research
@en
Trust, but verify: on the impo ...... ics and QSAR modeling research
@nl
type
label
Trust, but verify: on the impo ...... ics and QSAR modeling research
@ast
Trust, but verify: on the impo ...... ics and QSAR modeling research
@en
Trust, but verify: on the impo ...... ics and QSAR modeling research
@nl
prefLabel
Trust, but verify: on the impo ...... ics and QSAR modeling research
@ast
Trust, but verify: on the impo ...... ics and QSAR modeling research
@en
Trust, but verify: on the impo ...... ics and QSAR modeling research
@nl
P2860
P50
P3181
P356
P1476
Trust, but verify: on the impo ...... ics and QSAR modeling research
@en
P2860
P304
P3181
P356
10.1021/CI100176X
P407
P577
2010-07-26T00:00:00Z