Search Result "Leave-one-out cross-validation"
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
QSAR Study On 5-Lipoxygenase Inhibitors Based on Support Vector Machine
Journal: Medicinal Chemistry
Volume: 8 Issue: 6 Year: 2012 Page: 1108-1116
Author(s): Bing Niu, Qiang Su, Xiaochen Yuan, Wencong Lu, Juan Ding
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
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
Large-Scale Prediction of Drug Targets Based on Local and Global Consistency of Chemical-Chemical Networks
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 2 Year: 2016 Page: 121-128
Author(s): Guohua Huang,Kaiyan Feng,Xiaomei Li,Yan Peng
Gene Expression (Microarray) Data Analysis by Chemometric Methods
Journal: Current Analytical Chemistry
Volume: 3 Issue: 3 Year: 2007 Page: 233-237
Author(s): David X. Zhu, Richard J. Goeke, David L. Baker, James H. Hamburg, David E. Booth, Stephane E. Booth
Quantitative Structure- Property Relationship (QSPR) Investigation of Camptothecin Drugs Derivatives
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 533-542
Author(s): Neda Ahmadinejad,Fatemeh Shafiei,Tahereh Momeni Isfahani
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
Prediction of Thrombin and Factor Xa Inhibitory Activity with Associative Neural Networks
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 259-265
Author(s): Vasyl Kovalishyn,Vsevolod Tanchuk,Iryna Kopernyk,Volodymyr Prokopenko,Larysa Metelytsia
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