A carregar...

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

Optimal descriptors calculated with the simplified molecular input line entry system (SMILES) have been utilized in modeling of carcinogenicity as continuous values (logTD(50)). These descriptors can be calculated using correlation weights of SMILES attributes calculated by the Monte Carlo method. A...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Main Authors: Toropov, Andrey A., Toropova, Alla P., Benfenati, Emilio
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2738914/
https://ncbi.nlm.nih.gov/pubmed/19742127
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms10073106
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!