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Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistryEvaluating New Chemistry to Drive Molecular Discovery: Fit for Purpose?Metabolic pathway reconstruction strategies for central metabolism and natural product biosynthesisMetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous MetabolitesOpen source molecular modelingMassCascade: Visual Programming for LC-MS Data Processing in MetabolomicsOpen Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery DatasetsTrends in IT Innovation to Build a Next Generation Bioinformatics Solution to Manage and Analyse Biological Big Data Produced by NGS TechnologiesBuilding a virtual ligand screening pipeline using free software: a surveyA possible extension to the RInChI as a means of providing machine readable process data.The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingImmunoNodes - graphical development of complex immunoinformatics workflows3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.Metabolic differences in ripening of Solanum lycopersicum 'Ailsa Craig' and three monogenic mutantsVSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.ePhenotyping for Abdominal Aortic Aneurysm in the Electronic Medical Records and Genomics (eMERGE) Network: Algorithm Development and Konstanz Information Miner Workflow.Growth hormone treatment of premature ovarian failure in a mouse model via stimulation of the Notch-1 signaling pathway.Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows.Increasing rigor in NMR-based metabolomics through validated and open source tools.The apparent permeabilities of Caco-2 cells to marketed drugs: magnitude, and independence from both biophysical properties and endogenite similarities.Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolitesA 'rule of 0.5' for the metabolite-likeness of approved pharmaceutical drugs.Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries.New active leads for tuberculosis booster drugs by structure-based drug discovery.3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.molSimplify: A toolkit for automating discovery in inorganic chemistry.Evaluierung neuer Reaktionen zur Steuerung der Wirkstoff-Forschung: ein EignungstestPrediction of Compounds Activity in Nuclear Receptor Signaling and Stress Pathway Assays Using Machine Learning Algorithms and Low-Dimensional Molecular DescriptorsSystematic pharmacological screens uncover novel pathways involved in cerebral cavernous malformations
P2860
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P2860
description
2013 nî lūn-bûn
@nan
2013 թուականին հրատարակուած գիտական յօդուած
@hyw
2013 թվականին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
KNIME-CDK: Workflow-driven cheminformatics
@ast
KNIME-CDK: Workflow-driven cheminformatics
@en
KNIME-CDK: Workflow-driven cheminformatics
@en-gb
KNIME-CDK: Workflow-driven cheminformatics
@nl
type
label
KNIME-CDK: Workflow-driven cheminformatics
@ast
KNIME-CDK: Workflow-driven cheminformatics
@en
KNIME-CDK: Workflow-driven cheminformatics
@en-gb
KNIME-CDK: Workflow-driven cheminformatics
@nl
prefLabel
KNIME-CDK: Workflow-driven cheminformatics
@ast
KNIME-CDK: Workflow-driven cheminformatics
@en
KNIME-CDK: Workflow-driven cheminformatics
@en-gb
KNIME-CDK: Workflow-driven cheminformatics
@nl
P2860
P50
P921
P3181
P356
P1433
P1476
KNIME-CDK: Workflow-driven cheminformatics
@en
P2093
Bernd Wiswedel
P2860
P2888
P3181
P356
10.1186/1471-2105-14-257
P407
P577
2013-01-01T00:00:00Z
P5875
P6179
1020233619