Search Result "leave one out (LOO) method"
Prediction of Binding Affinities for Hydroxamic Acid Derivatives as Urease Inhibitors by Molecular Docking and 3D-QSAR Studies
Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 2 Year: 2009 Page: 93-100
Author(s): Zaheer-ul-Haq, Abdul Wadood
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
Probability Issues in Molecular Design: Predictive and Modeling Ability in 3D-QSAR Schemes
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 7 Issue: 8 Year: 2004 Page: 793-807
Author(s): Jaroslaw Polanski, Rafal Gieleciak, Andrzej Bak
QSAR Study on Pyridinone Derivatives as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor: A Mixed Approach
Journal: Medicinal Chemistry
Volume: 3 Issue: 3 Year: 2007 Page: 227-232
Author(s): P. Vasanthanathan, M. Lakshmi, A. Raghuram Rao
A 3D-QSAR Study on a Series of Benzimidazole Derivatives Acting as Hepatitis C Virus Inhibitors: Application of kNN-Molecular Field Analysis
Journal: Medicinal Chemistry
Volume: 6 Issue: 2 Year: 2010 Page: 87-90
Author(s): S.P. Gupta, S. Samanta, Vaishali M. Patil
Quantitative Structure-Property Relationship Study for Prediction of BoilingPoint and Enthalpy of Vaporization of Alkenes
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 725-738
Author(s): Fatemeh Ghaemdoost,Fatemeh Shafiei
QSAR Studies on 4-Quinolone Derivatives as High-Affinity Ligands at the Benzodiazepine Site of Brain GABAA Receptors
Journal: Medicinal Chemistry
Volume: 5 Issue: 4 Year: 2009 Page: 353-358
Author(s): Anand Gaurav, Mange R. Yadav, Rajani Giridhar, Vertika Gautam, Ranjit Singh
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
QSAR Models for Predicting Aquatic Toxicity of Esters Using Genetic Algorithm-Multiple Linear Regression Methods
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 22 Issue: 5 Year: 2019 Page: 317-325
Author(s): Mehdi Rajabi,Fatemeh Shafiei
Identifying the Structural Features of Pyrazolo[4,3-c]Quinoline-3-ones as Inhibitors of Phosphodiesterase 4: An Exploratory CoMFA and CoMSIA Study
Journal: Current Enzyme Inhibition
Volume: 9 Issue: 2 Year: 2013 Page: 106-116
Author(s): Anand Gaurav, Vertika Gautam