Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection-Reference-Cited by-同舟云学术

Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection

Published:2008-08-26 Issue:9 Volume:48 Page:1733-1746
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Tetko Igor V.¹,Sushko Iurii¹,Pandey Anil Kumar¹,Zhu Hao¹,Tropsha Alexander¹,Papa Ester¹,Öberg Tomas¹,Todeschini Roberto¹,Fourches Denis¹,Varnek Alexandre¹

Affiliation:

1. Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Institute of Bioinformatics and Systems Biology, Neuherberg D-85764, Germany, Institute of Bioorganic & Petrochemistry, National Ukrainian Academy of Sciences, Kyiv-94 02660, Ukraine, Laboratory for Molecular Modeling, Division of Medicinal Chemistry and Natural Products and Carolina Exploratory Center for Cheminformatics Research, School of Pharmacy, CB 7360, University of North Carolina at Chapel Hill, Chapel Hill,...

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/ci800151m

Reference46 articles.

1. In Silico Approaches to Prediction of Aqueous and DMSO Solubility of Drug-Like Compounds: Trends, Problems and Solutions

2. Computational Tools for Regulatory Needs

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