| Full text | |
| Author(s): |
Moda, Tiago L.
[1]
;
Torres, Leonardo G.
[1]
;
Carrara, Alexandre E.
[1]
;
Andricopulo, Adriano D.
[1]
Total Authors: 4
|
| Affiliation: | [1] Univ Sao Paulo, Lab Computat & Med Chem, Ctr Struct Mol Biotechnol, Inst Phys Sao Carlos, BR-13566970 Sao Carlos, SP - Brazil
Total Affiliations: 1
|
| Document type: | Journal article |
| Source: | Bioinformatics; v. 24, n. 19, p. 2270-2271, OCT 1 2008. |
| Web of Science Citations: | 48 |
| 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, bloodbrain barrier and water solubility). (AU) | |