P112
Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text miningThe Spectral Game: leveraging Open Data and crowdsourcing for educationOpen drug discovery for the Zika virusScientific Lenses to Support Multiple Views over Linked Chemistry DataOpen PHACTS: semantic interoperability for drug discoveryThe ChEMBL database as linked open dataAccessing, Using, and Creating Chemical Property Databases for Computational Toxicology ModelingApplying linked data approaches to pharmacology: Architectural decisions and implementationScientific competency questions as the basis for semantically enriched open pharmacological space developmentComputer-assisted structure verification and elucidation tools in NMR-based structure elucidationIncorporating Commercial and Private Data into an Open Linked Data Platform for Drug DiscoveryComputer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dreamThe development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTSMachines 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 databasesProgrammatic conversion of crystal structures into 3D printable files using JmolAnnotating Human P-Glycoprotein Bioassay DataToxCast Chemical Landscape: Paving the Road to 21st Century ToxicologyMapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox DashboardInChI: connecting and navigating chemistryIdentification of "known unknowns" utilizing accurate mass data and ChemSpiderPublic chemical compound databasesWhy open drug discovery needs four simple rules for licensing data and modelsOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationLooking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisParallel worlds of public and commercial bioactive chemistry dataBigger data, collaborative tools and the future of predictive drug discoveryRedefining Cheminformatics with Intuitive Collaborative Mobile AppsOpen Drug Discovery Teams: A Chemistry Mobile App for CollaborationMeta-analysis of molecular property patterns and filtering of public datasets of antimalarial “hits” and drugsPrecompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug developmentThe Need for Systematic Naming Software Tools for Exchange of Chemical InformationA quality alert and call for improved curation of public chemistry databasesTowards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situationChemSpider: An Online Chemical Information ResourceA perspective of publicly accessible/open-access chemistry databasesONS Open Melting Point CollectionOpen Science for Identifying “Known Unknown” ChemicalsAn automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling
P50
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P50
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