PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables-Reference-Cited by-同舟云学术

PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables

Published:2012-04-11 Issue:4 Volume:52 Page:975-983
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Brandmaier Stefan¹²,Sahlin Ullrika¹,Tetko Igor V.²³,Öberg Tomas¹

Affiliation:

1. School of Natural Sciences, Linnaeus University, 391 82 Kalmar, Sweden

2. Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Institute of Structural Biology, Ingolstaedter Landstrasse 1, Neuherberg D-85764, Germany

3. eADMET GmbH, Ingolstaedter Landstrasse 1, Neuherberg D-85764, Germany

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/ci3000198

Reference46 articles.

1. EC, Regulation (EC) No 1907/2006 of the European Parliament and of the Council of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) No 793/93 and Commission Regulation (EC) No 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC. Official Journal of the European Union, L: Legislation (English Edition) 2006, L 396/1 of 30.12.2006, 3–280.

2. Re-evaluation of animal numbers and costs for in vivo tests to accomplish REACH legislation requirements for chemicals - a report by the Transatlantic Think Tank for Toxicology (t4)

3. Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

4. A QSAR for the hydroxyl radical reaction rate constant: validation, domain of application, and prediction

5. Virtual screening of chemical libraries

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