How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?-Reference-Cited by-同舟云学术

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?

Published:2013-01-25 Issue:2 Volume:53 Page:354-367
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kirchmair Johannes¹,Howlett Andrew¹,Peironcely Julio E.²³⁴,Murrell Daniel S.¹,Williamson Mark J.¹,Adams Samuel E.¹,Hankemeier Thomas³⁴,van Buren Leo⁵,Duchateau Guus⁵,Klaffke Werner⁵,Glen Robert C.¹

Affiliation:

1. Unilever Centre for Molecular Sciences Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom

2. TNO Research Group Quality & Safety, P.O. Box 360, 3700 AJ Zeist, The Netherlands

3. Leiden/Amsterdam Center for Drug Research, Leiden University, Einsteinweg, 2333 CC Leiden, The Netherlands

4. Netherlands Metabolomics Centre, Einsteinweg, 2333 CL Leiden, The Netherlands

5. Unilever Research & Development, Olivier van Noortlaan, 3133 AT Vlaardingen, The Netherlands

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/ci300487z

Reference53 articles.

1. Report from the EPAA workshop: In vitro ADME in safety testing used by EPAA industry sectors

2. Finding the sweet spot: the role of nature and nurture in medicinal chemistry

3. Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

4. A Scoring Scheme for Discriminating between Drugs and Nondrugs

5. Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?

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