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Publications in Information Sciences

Using Cheminformatics to Predict Cross Reactivity of “Designer Drugs” to Their Currently Available Immunoassays

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

Supervised Extensions of Chemography Approaches: Case Studies of Chemical Liabilities Assessment

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

The FPS Fingerprint Format and Chemfp Toolkit

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

Multiobjective De Novo Drug Design With Recurrent Neural Networks and Nondominated Sorting

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

A Kairos of the Critical: Teaching Critically in a Time of Compliance

Communications in Information Literacy
E-learningEducationLibraryInformation Sciences
2017English

A Ranking Method for the Concurrent Learning of Compounds With Various Activity Profiles

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

On the Validity of Popular Assumptions in Computational Drug Design

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

Theoretical NMR Correlations Based Structure Discussion

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

Molecular Structures Enumeration and Virtual Screening in the Chemical Space With RetroPath2.0

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2017English

Generation of Structure-Based Pharmacophores Using Energetic Analysis – Application on Fragment Docking

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

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