Computation of Molecular Descriptors for Chemical Graph Structure Using Python Program

Many researchers have demonstrated that the newly identified, critical parameters of the molecular graph, such as degree and eccentricity dependent indices, are extremely useful in QSPR and QSAR studies. It’s also a good idea to dig further into this database. The design of molecular similarity is used in many drug discovery procedures. The bridge molecular graph is one of the most important structures in the pharmaceutical industry for drug discovery.

Author (s) Details

S. Manimekalai
Department of Mathematics, Dr. N.G.P. Arts and Science College, Coimbatore, India.

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