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Part-IResults and DiscussionFigure-16: Optimized structure of Omeprazole.Biological activityBiological activity of the molecules was evaluated in four different headings namely, pHof the gastric secretion, total acidity of the gastric contents, volume of the gastric juicesecreted and ulcer score. For this study, total acidity in the form of log(1/C), was used forthis study. However, it was found that pH of the gastric secretion and total acidity werefound intercorrelated with each other thus, only total acidity was taken in the presentstudy.Calculation of descriptorsDifferent types of descriptors were calculated for each of the energy minimized moleculein the study table using default settings of Molecular Designing Suite (MDS Vlife). Thesedescriptors represented the properties; electronic, spatial, structural, thermodynamic, andmolecular shape analysis (MSA). A complete list of descriptors used in the study includes239 descriptors, based on the physiochemical properties of these molecules, and aredivided in total 23 subclasses.Physicochemical Descriptors Class: (Total 239 descriptors)144