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Publications in Computer Graphics

Molecular Generative Model Based on Conditional Variational Autoencoder for De Novo Molecular Design

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2018English

Automatic Pharmacophore Model Generation Using Weighted Substructure Assignments

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2010English

PubChem3D: Biologically Relevant 3-D Similarity

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

IterTunnel; A Method for Predicting and Evaluating Ligand EgressTunnels in Proteins With Buried Active Sites

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

Evaluation of Deep and Shallow Learning Methods in Chemogenomics for the Prediction of Drugs Specificity

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2020English

Kernel Density Estimation of CSD Distributions - An Application to Knowledge Based Molecular Optimisation

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

HIVprotI: An Integrated Web Based Platform for Prediction and Design of HIV Proteins Inhibitors

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2018English

Prediction of the Partition Coefficient Between Air and Body Compartments From the Chemical Structure

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2010English

A Reliable Computational Workflow for the Selection of Optimal Screening Libraries

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

CARTESIUS: A Group Function Based Toolkit for Hybrid Molecular Modelling

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2010English

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