Can we estimate the accuracy of ADME-Tox predictions?
Drug Discov Today
; 11(15-16): 700-7, 2006 Aug.
Article
em En
| MEDLINE
| ID: mdl-16846797
ABSTRACT
There have recently been developments in the methods used to access the accuracy of the prediction and applicability domain of absorption, distribution, metabolism, excretion and toxicity models, and also in the methods used to predict the physicochemical properties of compounds in the early stages of drug development. The methods are classified into two main groups those based on the analysis of similarity of molecules, and those based on the analysis of calculated properties. An analysis of octanol-water distribution coefficients is used to exemplify the consistency of estimated and calculated accuracy of the ALOGPS program (http//www.vcclab.org) to predict in-house and publicly available datasets.
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Base de dados:
MEDLINE
Assunto principal:
Preparações Farmacêuticas
/
Desenho de Fármacos
Idioma:
En
Ano de publicação:
2006
Tipo de documento:
Article