Search Result "nonempirical descriptors"


Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 449-462
Author(s): Subhash C. Basak

Predicting Dopamine Receptors Binding Affinity of N-[4-(4-Arylpiperazin- 1-yl) butyl]Aryl Carboxamides: Computational Approach Using Topological Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 115-121
Author(s): Viney Lather, A. K. Madan

Molecular Factors Influencing the Affinity of Flavonoid Compounds on PGlycoprotein Efflux Transporter

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 250-258
Author(s): Rodolfo N. Vazquez,Alejandra B. Camargo,Eduardo J. Marchevsky,Juan M. Luco

QSAR Studies on Blood-Brain Barrier Permeation

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 1 Year: 2006 Page: 31-55
Author(s): Juan M. Luco, Eduardo Marchevsky

Research Article

On Graph theoretic index of Complementary Benzenoids And Macromolecules

Journal: Current Signal Transduction Therapy
Volume: 15 Issue: 3 Year: 2020 Page: 258-263
Author(s): Jaishankar Senbagamalar

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh

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