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Publications in Information Sciences

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

Format as a False Judge of Credibility: Messages From Librarians and Faculty and Student Responses

Communications in Information Literacy
E-learningEducationLibraryInformation Sciences
2011English

CARTESIUS: A Group Function Based Toolkit for Hybrid Molecular Modelling

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

A New Method for Rapid Comparison of Protein Binding Pockets by Capturing Spatial Distributions

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

In Silico Polypharmacology: Retrospective Recognition vs. Rational Design

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

Ketcher: Web-Based Chemical Structure Editor

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

Research Clinics: An Alternative Model for Large-Scale Information Literacy Instruction

Communications in Information Literacy
E-learningEducationLibraryInformation Sciences
2019English

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