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Publications in Information Sciences

Combining Structural and Bioactivity-Based Fingerprints Improves Prediction Performance and Scaffold Hopping Capability

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2019English

SANCDB: A South African Natural Compound Database

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

A Self-Attention Based Message Passing Neural Network for Predicting Molecular Lipophilicity and Aqueous Solubility

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

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

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

Book Review: The Embedded Librarian's Cookbook

Communications in Information Literacy
E-learningEducationLibraryInformation Sciences
2015English

Asking Probing Questions in Web Surveys

Social Science Computer Review
Computer Science ApplicationsSocial SciencesLawLibraryInformation Sciences
2012English

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

The Intersection of Information and Science Literacy

Communications in Information Literacy
E-learningEducationLibraryInformation Sciences
2017English

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

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