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

Research Article

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

Research Article

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

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

Research Article

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

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