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Search Result "quantum chemical descriptors"

Development of Quantitative Structure-Activity Relationship for a Set of Carbonic Anhydrase Inhibitors: Use of Quantum and Chemical Descriptors

Journal: Letters in Drug Design & Discovery
Volume: 3 Issue: 9 Year: 2006 Page: 622-635
Author(s): Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal, Shalini Singh, Meenakshi Lakhwani

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

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

Building a Chemical Space Based on Fragment Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 8 Year: 2008 Page: 661-668
Author(s): Igor Baskin, Alexandre Varnek

Review Article

Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1075-1090
Author(s): Ashish Gupta,Virender Kumar,Polamarasetty Aparoy

Research Article

Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 468-475
Author(s): Piotr Kawczak,Leszek Bober,Tomasz Bączek

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

Quantum Chemical Assessment of the Interaction of Potential Anticorrosion Additives with Steel Surface

Journal: Innovations in Corrosion and Materials Science (Discontinued)
Volume: 4 Issue: 2 Year: 2014 Page: 107-117
Author(s): Ime B. Obot

Research Article

Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study

Journal: Drug Metabolism Letters
Volume: 13 Issue: 1 Year: 2019 Page: 64-76
Author(s): Muthusamy Ramesh,Prasad V. Bharatam

Chemometric Evaluation of the Significance of Molecular Structural Descriptors on Binding of Acridinone Derivatives to DNA

Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 7 Year: 2010 Page: 494-499
Author(s): Marcin Koba, Tomasz Baczek

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