Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
about
Scientific Lenses to Support Multiple Views over Linked Chemistry DataA brief review of recent Charcot-Marie-Tooth research and prioritiesOpen PHACTS: semantic interoperability for drug discoveryConsistency of systematic chemical identifiers within and between small-molecule databasesUniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layersMachines first, humans second: on the importance of algorithmic interpretation of open chemistry dataThe Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasetsAmbiguity of non-systematic chemical identifiers within and between small-molecule databasesMany InChIs and quite some featWhy open drug discovery needs four simple rules for licensing data and modelsComparative evaluation of open source software for mapping between metabolite identifiers in metabolic network reconstructions: application to Recon 2Integrated text mining and chemoinformatics analysis associates diet to health benefit at molecular levelParallel worlds of public and commercial bioactive chemistry dataKnowledge Discovery and interactive Data Mining in Bioinformatics--State-of-the-Art, future challenges and research directionsBigger data, collaborative tools and the future of predictive drug discoveryPublic domain databases for medicinal chemistryDispensing processes impact apparent biological activity as determined by computational and statistical analyses.Exploiting open data: a new era in pharmacoinformatics.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.Are bigger data sets better for machine learning? Fusing single-point and dual-event dose response data for Mycobacterium tuberculosisFlexible data integration and curation using a graph-based approach.Towards Better BBB Passage Prediction Using an Extensive and Curated Data Set.Curation accuracy of model organism databasesEmerging topics in structure-based virtual screening.Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts.The eTOX Library of Public Resources for in Silico Toxicity Prediction.Quality Issues with Public Domain Chemogenomics Data.VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.ChemProt-2.0: visual navigation in a disease chemical biology databaseSmall-volume analysis of cell-cell signaling molecules in the brain.Chemical predictive modelling to improve compound quality.Predicting organ toxicity using in vitro bioactivity data and chemical structure.History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments.The Next Era: Deep Learning in Pharmaceutical Research.Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts.Synergistic drug combinations from electronic health records and gene expression.Toward Good Read-Across Practice (GRAP) guidanceThe Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space.VB-MK-LMF: fusion of drugs, targets and interactions using variational Bayesian multiple kernel logistic matrix factorization.Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity data.
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P2860
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
description
2012 nî lūn-bûn
@nan
2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Towards a gold standard: regar ...... hes to improving the situation
@ast
Towards a gold standard: regar ...... hes to improving the situation
@en
type
label
Towards a gold standard: regar ...... hes to improving the situation
@ast
Towards a gold standard: regar ...... hes to improving the situation
@en
prefLabel
Towards a gold standard: regar ...... hes to improving the situation
@ast
Towards a gold standard: regar ...... hes to improving the situation
@en
P50
P1433
P1476
Towards a gold standard: regar ...... hes to improving the situation
@en
P304
P356
10.1016/J.DRUDIS.2012.02.013
P577
2012-07-01T00:00:00Z