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
Building a Chemical Space Based on Fragment Descriptors
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005
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 BÄ
czek
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
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
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
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