A Probabilistic Approach to Classifying Metabolic Stability-Reference-Cited by-同舟云学术

A Probabilistic Approach to Classifying Metabolic Stability

Published:2008-03-08 Issue:4 Volume:48 Page:785-796
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Schwaighofer Anton¹,Schroeter Timon¹,Mika Sebastian¹,Hansen Katja¹,ter Laak Antonius¹,Lienau Philip¹,Reichel Andreas¹,Heinrich Nikolaus¹,Müller Klaus-Robert¹

Affiliation:

1. Fraunhofer FIRST, Kekuléstraße 7, 12489 Berlin, Germany, Technische Universität Berlin, Department of Computer Science, Franklinstraße 28/29, 10587 Berlin, Germany, idalab GmbH, Sophienstraße 24, 10178 Berlin, Germany, and Research Laboratories of Bayer Schering Pharma, Müllerstraße 178, 13342 Berlin, 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/ci700142c

Reference35 articles.

1. ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors

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

3. Machine Learning Models for Lipophilicity and Their Domain of Applicability

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