Search Result "topostructural indices"


Quantitative Structure-Activity Relationships for Anticancer Activity of 2- Phenylindoles Using Mathematical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 98-108
Author(s): Subhash C. Basak, Qianhong Zhu, Denise Mills

Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 164-183
Author(s): Stephen J. Barigye,Yovani Marrero-Ponce,Oscar Martinez Santiago,Yoan Martinez Lopez,Facundo Perez-Gimenez,Francisco Torrens

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

Importance of Kier-Hall Topological Indices in the QSAR of Anticancer Drug Design

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 2 Year: 2012 Page: 159-170
Author(s): Sisir Nandi,Manish C. Bagchi

Adapting Interrelated Two-Way Clustering Method for Quantitative Structure-Activity Relationship (QSAR) Modeling of Mutagenicity/Non- Mutagenicity of a Diverse Set of Chemicals

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 463-471
Author(s): Subhabrata Majumdar,Subhash C. Basak,Gregory D. Grunwald

Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 472-481
Author(s): Utsab Debnath,Seturam B. Katti,Yenamandra S. Prabhakar

Use of Mathematical Structural Invariants in Analyzing Combinatorial Libraries: A Case Study with Psoralen Derivatives

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 240-251
Author(s): Subhash C. Basak, Denise Mills, Brian D. Gute, Alexandru T. Balaban, Kanika Basak, Gregory D. Grunwald

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

On the Contribution of Molecular Topology to Drug Design and Discovery

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 252-268
Author(s): Jorge Galvez, Ramon Garcia-Domenech

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