o:33602 Comparative Cheminformatics Study on Structural and Physiological Similarity of Bridged Heterometallic Complexes en Abstract: In the chemical and pharmaceutical industries, many procedures are based on the principle that compounds with similar structures tend to exhibit similar activities. Therefore, the development of computational methods for decision support in similarity assessment is of utmost importance. In this proof-of-concept study, we introduce a computational framework for quantitative computation of agreement between structural and physiological similarity of compounds. As model molecules, we use bridged heterometallic complexes. To derive physiological binary vectors we use rate constants for the first substitution reaction between our compounds and some biomolecules. It is believed that such treatment of metal complexes allows a better understanding of the structure-activity relationship and can serve as a guide for new synthetic targets. 1552099 10.46793/match.92-2.317R 1552101 0340–6253 2024-05-08T13:48:50.221Z 44 no 46 Izudin Redžepović Državni univerzitet u Novom Pazaru 26137703 0000-0003-4956-0407 Tanja Soldatović V. Državni univerzitet u Novom Pazaru person 13626983 0000-0003-3010-6503 application/pdf 2915535 https://phaidrabg.bg.ac.rs/o:33602 no yes 1 70 92000001 20A01 MATCH Communications in Mathematical and in Computer Chemistry 92 2 317 336 2024