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

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).

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

FAPESP (The State of Sao Paulo Research Foundation)

CNPq (The National Council for Scientific and Technological Development), Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)