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Chemical Graphs, Molecular Matrices and Topological Indices in Chemoinformatics and Quantitative Structure-Activity Relationships§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 153-163
Author(s): Ovidiu Ivanciuc

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

Development of Structure Information from Molecular Topology for Modeling Chemical and Biological Properties: A Tribute to the Creativity of Lemont Burwell Kier on his 80th Birthday

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 2 Year: 2012 Page: 93-106
Author(s): Lowell H. Hall

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

QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier

Electromagnetic Stability

Ebook: Polarity Index in Proteins-A Bioinformatics Tool
Volume: 1 Year: 2016
Author(s): Carlos Polanco
Doi: 10.2174/9781681082691116010006

A Review on Principles, Theory and Practices of 2D-QSAR

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 346-379
Author(s): Kunal Roy,Rudra Narayan Das

Journal: Current Bioinformatics
Volume: 6 Issue: 2 Year: 2011 Page: 261-268
Author(s): Ovidiu Ivanciuc

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

Use of Diverse Chemometric and Validation Methods to Accurately Predict Human Urotensin-II Receptor Antagonist Activity

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 361-373
Author(s): Anubhuti Pandey,Sarvesh Paliwal,Rakesh Yadav,Shailendra Paliwal