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Publications in Computer-Aided Design

Lagrangian Texture Advection: Preserving Both Spectrum and Velocity Field

IEEE Transactions on Visualization and Computer Graphics
Computer GraphicsPattern RecognitionComputer VisionComputer-Aided DesignSignal ProcessingSoftware
2011English

Optimising Chemical Named Entity Recognition With Pre-Processing Analytics, Knowledge-Rich Features and Heuristics

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

Discriminating Agonist and Antagonist Ligands of the Nuclear Receptors Using 3d-Pharmacophores

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2016English

ADMET Evaluation in Drug Discovery: 15. Accurate Prediction of Rat Oral Acute Toxicity Using Relevance Vector Machine and Consensus Modeling

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2016English

Identification of Novel Small Molecule Inhibitors for Solute Carrier SGLT1 Using Proteochemometric Modeling

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

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

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

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