title: PK/DB: database for pharmacokinetic properties and predictive in silico ADME models.
abstract: 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).
  
  
  BACKGROUND
  http://www.pkdb.ifsc.usp.br
authors.affiliation: Laboratory of Computational and Medicinal Chemistry, Center for Structural Molecular Biotechnology, Institute of Physics of São Carlos, University of São Paulo, São Carlos-SP 13566-970, Brazil.
authors.forename: Tiago L
authors.initials: TL
authors.lastname: Moda
authors.forename: Leonardo G
authors.initials: LG
authors.lastname: Torres
authors.forename: Alexandre E
authors.initials: AE
authors.lastname: Carrara
authors.forename: Adriano D
authors.initials: AD
authors.lastname: Andricopulo
mesh_terms: D000042:Absorption; D001692:Biological Transport; D003198:Computer Simulation; D016208:Databases, Factual; D006801:Humans; D007408:Intestinal Absorption; D053858:Metabolic Networks and Pathways; D008954:Models, Biological; D004364:Pharmaceutical Preparations / Q000378:metabolism; D010599:Pharmacokinetics
chemical_list: D004364:Pharmaceutical Preparations