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Publications in Theoretical Chemistry

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

Issue Editorial Masthead

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2019English

Trellises of Molecular Oxygen on Anatase TiO2(101)

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2019English

Shape-Dependent Electronic Excitations in Metallic Chains

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2014English

Taking the Heat Off of Plasmonic Chemistry

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2019English

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