Predicting Lipophilicity of Drug-Discovery Molecules using Gaussian Process Models-Reference-Cited by-同舟云学术

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Predicting Lipophilicity of Drug-Discovery Molecules using Gaussian Process Models

Published:2007-09-10 Issue:9 Volume:2 Page:1265-1267
ISSN:1860-7179
Container-title:ChemMedChem
language:en
Short-container-title:ChemMedChem

Author:

Schroeter Timon S.,Schwaighofer Anton,Mika Sebastian,Ter Laak Antonius,Suelzle Detlev,Ganzer Ursula,Heinrich Nikolaus,Müller Klaus-Robert

Publisher

Wiley

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics,Molecular Medicine,Drug Discovery,Biochemistry,Pharmacology

Reference14 articles.

1. logD7.4 Modeling Using Bayesian Regularized Neural Networks. Assessment and Correction of the Errors of Prediction

2. Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach

3. An introduction to kernel-based learning algorithms

4. , Gaussian Processes for Machine Learning, MIT Press, Cambridge MA, 2005.

5. , Neural Networks: Tricks of the Trade, LNCS, Springer, Berlin, 1998;

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