Search Result "congenericity principle"
EDITORIAL: Chemodescriptor Based QSARs of Structurally Homogeneous Versus Heterogeneous Chemical Data Sets: Some Comments on the Congenericity Principle vis-Ã -vis Diversity Begets Diversity Principle
Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 84-86
Author(s): Subhash C. Basak,Subhabrata Majumdar
Prediction of Mutagenicity of Chemicals from Their Calculated Molecular Descriptors: A Case Study with Structurally Homogeneous versus Diverse Datasets
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 117-123
Author(s): Subhash C. Basak,Subhabrata Majumdar
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 16 Year: 2014 Page: 1923-1938
Author(s): Evanthia Lionta,George Spyrou,Demetrios K. Vassilatis,Zoe Cournia
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
Antidepressant Drug Design on TCAs and Phenoxyphenylpropylamines utilizing QSAR and Pharmacophore Modeling
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 0 Year: 2020 Page: 1-14
Author(s): Amit Kumar,Sisir Nandi,Anil Kumar Saxena
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 118-129
Author(s): Pathik S. Brahmkshatriya,Petr Dobes,Jindrich Fanfrlik,Jan Rezac,Kamil Paruch,Agnieszka Bronowska,Martin LepsÃk,Pavel Hobza
Estimation of the Binding Free Energy by Linear Interaction Energy Models
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 551-561
Author(s): O. Nicolotti,M. Convertino,F. Leonetti,M. Catto,S. Cellamare,A. Carotti
Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators
Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 214-227
Author(s): Zhanli Wang, Jianxin Huo, Lidan Sun, Yongfu Wang, Hongwei Jin, Hui Yu, Liangren Zhang, Lishe Zhou
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
Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5
Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 4 Year: 2011 Page: 238-248
Author(s): Alejandro Speck-Planche, Maria Natalia Dias Soeiro Cordeiro