期刊
BIOINFORMATICS
卷 24, 期 19, 页码 2270-2271出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btn415
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资金
- FAPESP (The State of Sao Paulo Research Foundation)
- CNPq (The National Council for Scientific and Technological Development), Brazil
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, bloodbrain barrier and water solubility).
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