Search Result "leave one out (LOO) cross 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
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
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
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
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
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
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
Estimation of Affinity of HLA-A*0201 Restricted CTL Epitope Based on the SCORE Function
Journal: Protein & Peptide Letters
Volume: 16 Issue: 5 Year: 2009 Page: 561-569
Author(s): Lin Zhi-Hua, Wang Huai-Liang, Zhu Bo, Wang Yuan-Qiang, Lin Yong, Wu Yu-Zhang
Quantitative Structure-activity Relationship of Acetylcholinesterase Inhibitors based on mRMR Combined with Support Vector Regression
Journal: Letters in Organic Chemistry
Volume: 16 Issue: 4 Year: 2019 Page: 311-316
Author(s): Jiaxiang Wu,Guozhao Mai,Bowen Deng,Jeong Younseo,Dongsu Du,Fuxue Chen,Qiaorong Ma
CoMFA and CoMSIA 3D QSAR Models for a Series of Some Condensed Thieno[2,3-d]pyrimidin-4(3H)-ones with Antihistaminic (H1) Activity
Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 389-401
Author(s): Meenakshi Singh,Sushil K. Singh,Mahesh T. Chhabria,Kamala Vasu,Dhaivat Pandya