Journal Article

PK/DB: database for pharmacokinetic properties and predictive <i>in silico</i> ADME models

Tiago L. Moda, Leonardo G. Torres, Alexandre E. Carrara and Adriano D. Andricopulo

in Bioinformatics

Volume 24, issue 19, pages 2270-2271
Published in print October 2008 | ISSN: 1367-4803
Published online August 2008 | e-ISSN: 1460-2059 | DOI:
PK/DB: database for pharmacokinetic properties and predictive in silico ADME models

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Summary: The study of pharmacokinetic properties (PK) is of great importance in drug discovery and development. In the present work, PK/DB (a new freely available database for PK) was designed with the aim of creating robust databases for pharmacokinetic studies and in silico absorption, distribution, metabolism and excretion (ADME) prediction. Comprehensive, web-based and easy to access, PK/DB manages 1203 compounds which represent 2973 pharmacokinetic measurements, including five models for in silico ADME prediction (human intestinal absorption, human oral bioavailability, plasma protein binding, blood–brain barrier and water solubility).



Journal Article.  986 words.  Illustrated.

Subjects: Bioinformatics and Computational Biology

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