Search Result "predictive QSAR models"

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

Prediction of Intracellular Localization of Fluorescent Dyes Using QSAR Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 5 Year: 2016 Page: 378-383
Author(s): Shohei Uchinomiya,Richard W. Horobin,Enrique Alvarado-Martínez,Eduardo Peña-Cabrera,Young-Tae Chang

Predictive QSAR Modeling for the Successful Predictions of the ADMET Properties of Candidate Drug Molecules

Journal: Current Drug Discovery Technologies
Volume: 4 Issue: 3 Year: 2007 Page: 141-149
Author(s): Mahmud Tareq Hassan Khan, Ingebrigt Sylte, Mahmud Tareq Hassan Khan, Ingebrigt Sylte

Prediction Oriented QSAR Modelling of EGFR Inhibition

Journal: Current Medicinal Chemistry
Volume: 13 Issue: 3 Year: 2006 Page: 277-287
Author(s): C. Szantai-Kis, I. Kovesdi, D. Eros, P. Banhegyi, A. Ullrich, G. Keri, L. Orfi

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

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

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

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

How to Generate Reliable and Predictive CoMFA Models

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 6 Year: 2011 Page: 923-930
Author(s): Lei Zhang, Keng-Chang Tsai, Lupei Du, Hao Fang, Minyong Li, Wenfang Xu

Research Article

Fingerprint-based 2D-QSAR Models for Predicting Bcl-2 Inhibitors Affinity

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 10 Year: 2020 Page: 1206-1215
Author(s): Said Byadi,Hachim Mouhi Eddine,Karima Sadik,Črtomir Podlipnik,Aziz Aboulmouhajir

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