Abstract
Graph theory was successfully applied in developing a relationship between chemical structure and biological activity. The relationship of two graph invariants—the eccentric connectivity index and the Wiener's index was investigated with regard to anti-inflammatory activity, for a data set consisting of 76 pyrazole carboxylic acid hydrazide analogues. The values of the eccentric connectivity index and the Wiener's index of each analogue in the data set were computed and active ranges were identified. Subsequently, each analogue was assigned a biological activity that was compared with the anti-inflammatory activity reported as percent reduction in paw swelling. Prediction with an accuracy of ∼90% was obtained using the eccentric connectivity index as compared to 84% in the case of Wiener's index.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
