about
P185
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onModelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectivesThe Blue Obelisk-interoperability in chemical informaticsUserscripts for the life sciencesRecent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and BioinformaticsTowards interoperable and reproducible QSAR analyses: Exchange of datasetsCheminformaticsA Survey of Quantitative Descriptions of Molecular StructureStructure−Activity Landscape Index: Identifying and Quantifying Activity CliffsOpen Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and BeyondSynergy Maps: exploring compound combinations using network-based visualizationExploiting synthetic lethality for the therapy of ABC diffuse large B cell lymphomaPubChem as a Source of PolypharmacologyNavigating structure–activity landscapesChemical Informatics Functionality in RThe Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingHelping to improve the practice of cheminformatics.Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets.Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays.R-NN curves: an intuitive approach to outlier detection using a distance based method.Exploring Structure-Activity Data Using the Landscape Paradigm.BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types.KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries.The ups and downs of structure-activity landscapes.On exploring structure-activity relationships.Flexible Web service infrastructure for the development and deployment of predictive models.Web service infrastructure for chemoinformatics.Using a neural network for mining interpretable relationships of West Nile risk factors.Exploring uncharted territories: predicting activity cliffs in structure-activity landscapes.Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingLocal lazy regression: making use of the neighborhood to improve QSAR predictions.Development of QSAR models to predict and interpret the biological activity of artemisinin analogues.Generation of QSAR sets with a self-organizing map.Scalable partitioning and exploration of chemical spaces using geometric hashing.On the interpretation and interpretability of quantitative structure-activity relationship models.Beautifying Data in the Real WorldThe Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature.Ensemble feature selection: consistent descriptor subsets for multiple QSAR models.Interpreting computational neural network QSAR models: a measure of descriptor importance.Determining the validity of a QSAR model--a classification approach.
P50
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P50
description
Chemist working in America
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scheikundige
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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R. Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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Rajarshi Guha
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P214
P244
P184
P1960
lozCoOkAAAAJ
P2002
P2037
P21
P214
P2381
P244
n2011039625
P2456
P31
P496
0000-0001-7403-8819
P569
2000-01-01T00:00:00Z
P691
ntk2013800110
P735
P7859
lccn-n2011039625