Search Result "QSAR validation"
Beware of External Validation! - A Comparative Study of Several Validation Techniques used in QSAR Modelling
Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 4 Year: 2018 Page: 284-291
Author(s): Subhabrata Majumdar,Subhash C. Basak
On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 450-474
Author(s): Kunal Roy, Indrani Mitra
QSAR in the Pharmaceutical Research Setting: QSAR Models for Broad, Large Problems
Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 619-637
Author(s): D.G. Sprous, R.K. Palmer, J. T. Swanson, M. Lawless
On the Use of the Metric rm 2 as an Effective Tool for Validation of QSAR Models in Computational Drug Design and Predictive Toxicology
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 491-504
Author(s): K. Roy,I. Mitra
How to Judge Predictive Quality of Classification and Regression Based QSAR Models?
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): Kunal Roy,Supratik Kar
Doi: 10.2174/9781608059782115020005
QSAR as a Random Event: Selecting of the Molecular Structure for Potential Anti-tuberculosis Agents
Journal: Anti-Infective Agents
Volume: 14 Issue: 1 Year: 2016 Page: 3-10
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Roberto Fanelli
The Recent Trend in QSAR Modeling - Variable Selection and 3D-QSAR Methods
Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 254-262
Author(s): Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu
Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening
Journal: Current Pharmaceutical Design
Volume: 13 Issue: 3 Year: 2007 Page: 3494-3504
Author(s): Alexander Tropsha, Alexander Golbraikh
Assessing the Validity of QSARs for Ready Biodegradability of Chemicals: An Applicability Domain Perspective
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 137-147
Author(s): Faizan Sahigara,Davide Ballabio,Roberto Todeschini,Viviana Consonni
QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 1 Year: 2014 Page: 75-82
Author(s): Vijay H. Masand,Andrey A. Toropov,Alla P. Toropova,Devidas T. Mahajan