Fatogoma Diarrrassouba

Elaboration of a Predictive Qsar Model of the Anti-Paludial Activity of a Series of Dihydrothiophenone Molecules at Theory Level B3LYP/ 6-31G (d, p)

Fandia Konate, Fatogoma Diarrrassouba, Georges Stephane Dembele, Mamadou Guy-Richard Koné, Bibata Konate & Nahossé Ziao · Chemical Science International Journal · 2021

The purpose of this study is to develop a QSAR model predictive of the antimalarial activity of a series of Dihydrothiophenone molecules using quantum chemical methods. The molecules were optimized from the B3LYP/6-31G (d, p) level of theory. The extracted descriptors are the vib...