Computational Chemistry: QSAR of Dental Disease Causing Streptococcus mutans Using Eugenol Derivative Compounds from Clove Essential Oil

Research on the activity of eugenol derived compounds as antimicrobials using qualitative structure-activity relationship (QSAR) model has been conducted. Molecular structure modeling was executed computationally ChemDraw Ultra 12.0 program package. Geometry optimization performed AM1 semi-empirical method to stabilize with least energy level. Calculations hydrophobic, electronic, and steric descriptors were done Gaussian-09 Marvin Sketch 64 softwares. Statistical calculations conducted through multiple linear regression IBM SPSS 25 program. analysis carried out based statistical requirements several equation models so that best obtained. The QSAR obtained 1 presented results.