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Publications in Computer Graphics

Stereoselective Virtual Screening of the ZINC Database Using Atom Pair 3d-Fingerprints

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2015English

Complementary PLS and KNN Algorithms for Improved 3d-Qsdar Consensus Modeling of AhR Binding

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

How Often Do Follow-On Activities Occur - Trends Seen in a Patent Database for GPCRs

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2012English

Sodium Dependent Glucose Transporter (SGLT) 1 / 2 - Elucidating Inhibitor SAR and Selectivity Using Homology Modelling and 3D QSAR Studies

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2012English

Visualization of Chemical Space for Medicinal Chemists

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2014English

Virtual Screening Workflow for Glycogen Synthase Kinase 3β Inhibitors: Convergence of Ligand-Based and Structure-Based Approaches

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2011English

Inferring Multi-Target QSAR Models With Taxonomy-Based Multi-Task Learning

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

Let's Talk About Rings

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

Peptide Lineup Against Gram-Negative Bacterial Infection – First-In-Class Peptide Inhibitor of H. Pylori HtrA

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2014English

COSMOsim3D for Drug-Similarity, Alignment, and Molecular Field Analysis

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2012English

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