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Re-propose Organic and Inorganic Property Values and Group Electronegativity for Drug and Biological Molecules and Their Calculation through JavaScript and Application in QSAR Studies
1  Department of Chemistry, University of Wisconsin-Milwaukee Milwaukee, WI 53201 USA

Abstract: The inorganic and organic property values of general orgainc groups are re-proposed here. The inorganic (I) and organic (O) property values of drug and biological molecules or groups can be calculated based on their group values. The calculation can be easily done on line through Javascript. Similar calculation can be done for the drug and biological molecular group electronegativity according to the author's published paper. The calculation of lipophilicity (pi or logP) parameter of (macro)molecules (like proteins) can also be done on-line through Javascript. Two equations expressed with I and O are provided here to define the hydrophobicity of each amino acid. The correlations of inorganic and organic property values with other parameters are also discussed. These calculated papameters combined with other papameters can be used for QSAR studies in some drug molecules. Some applications are also disscussed in this paper.
Keywords: Inorganic and organic properties, logP, drug and biological molecules, Javascript, QSAR, drug design.