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Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods

Pharmacological and physicochemical classification of the furan and thiophene amide derivatives by multiple regression analysis and partial least square (PLS) based on semi-empirical ab initio molecular modeling studies and high-performance liquid chromatography (HPLC) retention data is proposed. St...

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Detalhes bibliográficos
Main Authors: Bober, Leszek, Kawczak, Piotr, Baczek, Tomasz
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3397488/
https://ncbi.nlm.nih.gov/pubmed/22837656
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms13066665
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