In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set-Reference-Cited by-同舟云学术

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In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set

Published:2009-06-17 Issue:14 Volume:52 Page:4488-4495
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Berellini Giuliano¹²,Springer Clayton³,Waters Nigel J.²,Lombardo Franco²

Affiliation:

1. Laboratory of Chemometrics, Department of Chemistry, University of Perugia, 06123 Perugia, Italy

2. Metabolism and Pharmacokinetics Group, Novartis Institutes for Biomedical Research, 250 Massachusetts Avenue, Cambridge, Massachusetts 02139

3. Computational Chemistry Group, Novartis Institutes for Biomedical Research, Cambridge, Massachusetts 02139

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm9004658

Reference36 articles.

1. EXTRAPOLATION OF PRECLINICAL PHARMACOKINETICS AND MOLECULAR FEATURE ANALYSIS OF “DISCOVERY-LIKE” MOLECULES TO PREDICT HUMAN PHARMACOKINETICS

2. Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure

3. A COMPREHENSIVE QUANTITATIVE AND QUALITATIVE EVALUATION OF EXTRAPOLATION OF INTRAVENOUS PHARMACOKINETIC PARAMETERS FROM RAT, DOG, AND MONKEY TO HUMANS. I. CLEARANCE

4. A COMPREHENSIVE QUANTITATIVE AND QUALITATIVE EVALUATION OF EXTRAPOLATION OF INTRAVENOUS PHARMACOKINETIC PARAMETERS FROM RAT, DOG, AND MONKEY TO HUMANS. II. VOLUME OF DISTRIBUTION AND MEAN RESIDENCE TIME

5. Allometric scaling of pharmacokinetic parameters in drug discovery: Can human CL, Vss and t1/2 be predicted fromin-vivo rat data?

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