Computation of Molecular Descriptors for Chemical Graph Structure Using Python Program

Manimekalai, S. (2021) Computation of Molecular Descriptors for Chemical Graph Structure Using Python Program. In: Theory and Practice of Mathematics and Computer Science Vol. 9. Book Publisher International (a part of SCIENCEDOMAIN International), pp. 100-114. ISBN 978-93-90888-28-3

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Abstract

Many researchers proved that the newly defined, essential parameters like degree and eccentricity based indices of molecular graph is very much useful in QSPR and QSAR study. It is also advisable to do further investigations in this index. Many drug discovery procedures are based on the design of molecular similarity. Bridge molecular graph is one of the most essential structures in medicine industry to discover drugs.

Item Type: Book Section
Subjects: Opene Prints > Computer Science
Depositing User: Managing Editor
Date Deposited: 31 Oct 2023 10:01
Last Modified: 31 Oct 2023 10:01
URI: http://geographical.go2journals.com/id/eprint/2863

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