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Publications in Computer Science Applications

A New Semi-Automated Workflow for Chemical Data Retrieval and Quality Checking for Modeling Applications

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

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

How a Sustainable Message Affects Brand Attributes

Industrial Management and Data Systems
Industrial RelationsIndustrialManufacturing EngineeringStrategyComputer Science ApplicationsManagementManagement Information Systems
2016English

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

A Service Concept Recommendation System for Enhancing the Dependability of Semantic Service Matchmakers in the Service Ecosystem Environment

Journal of Network and Computer Applications
HardwareComputer NetworksComputer Science ApplicationsArchitectureCommunications
2011English

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

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