Web of Science (Emerging Sources Citation Index)
1. Study of bendamustine anticancer drug in gaseous and in a few selected liquid solvents phases using functional density theory (DFT)

Mehri Deilam; Ashraf Sadat Ghasemi; Fereydoun Ashrafi

Volume 1, Issue 6 , November and December 2019, , Pages 518-526

http://dx.doi.org/10.33945/SAMI/ECC.2019.6.3

Abstract
  In this research, Bendamustine anticancer drug in main and excited states in gaseous phase and in water, ethanol and methanol solvent phases have studied, using DFT and at MPW1PW91/6-311++G(d, p) theoretical level. The molecules of solvent affected the equilibrium structure of species. The effects of ...  Read More

Study of bendamustine anticancer drug in gaseous and in a few selected liquid solvents phases using functional density theory (DFT)


2. QSAR models to predict physico-chemical Properties of some barbiturate derivatives using molecular descriptors and genetic algorithm- multiple linear regressions

Fatemeh Shafiei; Elham Esmaeili

Volume 1, Issue 2 , March and April 2019, , Pages 170-179

http://dx.doi.org/10.33945/SAMI/ECC.2019.2.5

Abstract
  In this study the relationship between choosing appropriate descriptors by genetic algorithm to the Polarizability (POL), Molar Refractivity (MR) and Octanol/water Partition Coefficient (LogP) of barbiturates is studied. The chemical structures of the molecules were optimized using ab initio 6-31G basis ...  Read More

QSAR models to predict physico-chemical Properties of some barbiturate derivatives using molecular descriptors and genetic algorithm- multiple linear regressions