Robust Cross-Validation of Linear Regression QSAR Models-Reference-Cited by-同舟云学术

Robust Cross-Validation of Linear Regression QSAR Models

Published:2008-10-01 Issue:10 Volume:48 Page:2081-2094
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Konovalov Dmitry A.¹,Llewellyn Lyndon E.¹,Vander Heyden Yvan¹,Coomans Danny¹

Affiliation:

1. School of Mathematics, Physics & Information Technology, James Cook University, Townsville, Queensland 4811, Australia, Australian Institute of Marine Science, PMB 3, Townsville, Queensland 4810, Australia, Department of Analytical Chemistry and Pharmaceutical Technology, Pharmaceutical Institute, Vrije Universiteit Brussel, B-1050 Brussels, Belgium

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci800209k

Reference63 articles.

1. Statistical Confidence for Variable Selection in QSAR Models via Monte Carlo Cross-Validation

2. Benchmarking of QSAR Models for Blood-Brain Barrier Permeation

3. Predictive toxinology: An initial foray using calculated molecular descriptors to describe toxicity using saxitoxins as a model

4. Predictivity of QSAR

5. Beware of q2!

Cited by 56 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach;Journal of Chemical Information and Modeling;2024-01-09

2. Computational chemistry for water-splitting electrocatalysis;Chemical Society Reviews;2024

3. Predicting reactivity dynamics of halogen species and trace organic contaminants using machine learning models;Chemosphere;2024-01

4. The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study;Frontiers in Drug Discovery;2023-07-25

5. Phenylalanine Residues in the Active Site of CYP2E1 Participate in Determining the Binding Orientation and Metabolism-Dependent Genotoxicity of Aromatic Compounds;Toxics;2023-05-31