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FABP4 inhibitors 3D-QSAR model and isosteric replacement of BMS309403 datasets

The data have been obtained from FABP4 inhibitor molecules previously published. The 120 compounds were used to build a 3D-QSAR model. The development of the QSAR model has been undertaken with the use of Forge software using the PM3 optimized structure and the experimental IC50 of each compound. Th...

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Detalhes bibliográficos
Main Authors: Giuseppe Floresta, Agostino Cilibrizzi, Vincenzo Abbate, Ambra Spampinato, Chiara Zagni, Antonio Rescifina
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2019-02-01
Colecção:Data in Brief
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S2352340918315865
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