about
Applications of the InChI in cheminformatics with the CDK and BioclipseOpen Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onBioclipse: an open source workbench for chemo- and bioinformaticsBioclipse 2: a scriptable integration platform for the life sciencesXMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web servicesRecommendations on e-infrastructures for next-generation sequencingXMetDB: an open access database for xenobiotic metabolismThe ChEMBL database as linked open dataBioclipse-R: integrating management and visualization of life science data with statistical analysisLinking the Resource Description Framework to cheminformatics and proteochemometricsAccessing, Using, and Creating Chemical Property Databases for Computational Toxicology ModelingTowards interoperable and reproducible QSAR analyses: Exchange of datasetsComputational toxicology using the OpenTox application programming interface and BioclipseOpen source drug discovery with Bioclipse.Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and BioclipseLarge-scale ligand-based predictive modelling using support vector machinesToward the Replacement of Animal Experiments through the Bioinformatics-driven Analysis of 'Omics' Data from Human Cell CulturesProteochemometric modeling of the susceptibility of mutated variants of the HIV-1 virus to reverse transcriptase inhibitorsA unified proteochemometric model for prediction of inhibition of cytochrome p450 isoformsCancer Biology, Toxicology and Alternative Methods Development Go Hand-in-HandHarmonising and linking biomedical and clinical data across disparate data archives to enable integrative cross-biobank researchBioImg.org: A Catalog of Virtual Machine Images for the Life SciencesThe Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingScaling predictive modeling in drug development with cloud computing.A quantitative assessment of the Hadoop framework for analyzing massively parallel DNA sequencing data.Experiences with workflows for automating data-intensive bioinformatics.Brunn: an open source laboratory information system for microplates with a graphical plate layout design process.Towards Predicting the Cytochrome P450 Modulation: From QSAR to proteochemometric modelingThe LCB Data Warehouse.Proteochemometric modeling of HIV protease susceptibility.The C1C2: a framework for simultaneous model selection and assessment.An eScience-Bayes strategy for analyzing omics data.Toxicology ontology perspectives.WhichCyp: prediction of cytochromes P450 inhibition.Lessons learned from implementing a national infrastructure in Sweden for storage and analysis of next-generation sequencing data.Large-scale virtual screening on public cloud resources with Apache SparkOrigin of aromatase inhibitory activity via proteochemometric modeling.Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principlesOn mechanisms of reactive metabolite formation from drugs.E-Science technologies in a workflow for personalized medicine using cancer screening as a case study.
P50
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P50
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P214
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