Search Result "theoretical molecular descriptors."
QSAR of Chalcones Utilizing Theoretical Molecular Descriptors
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi
Estimation of Human Carbonic Anhydrase II Inhibition Using Topological Indices and their Combination with Quantum-Theoretical Descriptors
Journal: Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2008 Page: 30-66
Author(s): Padmakar V. Khadikar, Jyoti Singh, Shalini Singh, Rajika Mishra, Claudiu T. Supuran, Brian W. Clare, Meenakshi Lakhwani
A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships
Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 3 Year: 2016 Page: 181-205
Author(s): Sagarika Sahoo,Chandana Adhikari,Minati Kuanar,Bijay K. Mishra
A QSAR Study of HIV Protease Inhibitors Using Theoretical Descriptors
Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 269-282
Author(s): Subhash C. Basak, Denise Mills, Rajni Garg, Barun Bhhatarai
Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 315-322
Author(s): Christophe Muller,Dumrongsak Pekthong,Eliane Alexandre,Gilles Marcou,Dragos Horvath,Lysiane Richert,Alexandre Varnek
Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions
Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 6 Year: 2019 Page: 426-443
Author(s): Krishnan Balasubramanian,Satya P. Gupta
How the Parts Organize in the Whole? A Top-Down View of Molecular Descriptors and Properties for QSAR and Drug Design
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2008 Page: 213-221
Author(s): Ernesto Estrada
Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto
A Survey of Quantitative Descriptions of Molecular Structure
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 1946-1956
Author(s): Rajarshi Guha,Egon Willighagen
Inductive Descriptors: 10 Successful Years in QSAR
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 21-42
Author(s): A. Cherkasov