Year: 2002
Type: article
Abstract: The simple molecular connectivity indices are analysed for the in-formation in the bond terms. It is found that these terms reflect the relative accessibility of each bond to encounter other bonds of the same molecule in a milieu. The total possibility of each mole-cule to encounter another molecule in a bimolecular interaction is found to be the molecular connectivity index for that molecule. The molecular connectivity indices are interpreted to be the bimolecu-lar interaction possibilities of a molecule in a milieu. Key words: molecular connectivity, intermolecular accessibility, bi-molecular encounters, meaning of molecular connectivity. MOLECULAR STRUCTURE The development of new drugs with pharmacological efficacy and clini-cal utility is now a major activity in the chemical and biological sciences. Successes in mid-century have led to a level of confidence in our ability to make some predictions in the design of molecules with desirable character-istics. Today we are on the threshold of rational drug design based on the oc-casional ability to recreate and model the molecular-level scene of action of a ligand molecule and an effector using computer graphic simulations. From * Offered in recognition of the creativity of Milan Randi} and his 70th year. * * Author to whom correspondence should be addressed. (E-mail:
Authors: Lemont B. Kier, Lowell H. Hall
Institutions: Virginia Commonwealth University, Eastern Nazarene College
Language: English
Subfield: Discrete Mathematics and Combinatorics
Field: Mathematics
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2462365233