The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD).
Adv Protein Chem Struct Biol
; 113: 85-117, 2018.
Article
em En
| MEDLINE
| ID: mdl-30149907
ABSTRACT
The steps followed in the knowledge discovery in databases (KDD) process are well documented and are widely used in different areas where exploration of data is used for decision making. In turn, while different workflows for developing quantitative structure-activity relationship (QSAR) models have been proposed, including combinatorial use of QSAR, there is now agreement on common requirements for building trustable predictive models. In this work, we analyze and confront the steps involved in KDD and QSAR and present how they comply with the OECD principles for the validation, for regulatory purposes, of QSAR models.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Bases de Dados Factuais
/
Relação Quantitativa Estrutura-Atividade
/
Organização para a Cooperação e Desenvolvimento Econômico
/
Descoberta de Drogas
Tipo de estudo:
Prognostic_studies
Limite:
Humans
Idioma:
En
Revista:
Adv Protein Chem Struct Biol
Assunto da revista:
BIOLOGIA
/
BIOQUIMICA
Ano de publicação:
2018
Tipo de documento:
Article
País de afiliação:
México
País de publicação:
HOLANDA
/
HOLLAND
/
NETHERLANDS
/
NL
/
PAISES BAJOS
/
THE NETHERLANDS