o:31598 A metric for pairwise similarity analysis of binary cheminformatics data en Abstract: This paper unveils the findings derived from an in-depth exploration of a novel similarity measure designed to assess pairwise resemblances. Called the Substructure Similarity Index, this measure centers around the comparison of substructures identified within compounds. Through a rigorous evaluation conducted on an extensive dataset of drugs and by juxtaposing it against other commonly employed indices, the study reveals that the Substructure Similarity Index can be adeptly employed for molecular similarity calculations since it provides information that cannot be obtained by available measures. Keywords: molecular similarity, molecular structure, binary vectors, molecular fingerprints, similarity measure. 1552099 10.46793/ICCBI23.593R 1552100 978-86-82172-02-4 2023-11-04T10:48:07.750Z 44 no 46 Izudin Redžepović Državni univerzitet u Novom Pazaru 26137703 0000-0003-4956-0407 application/pdf 1377735 https://phaidrabg.bg.ac.rs/o:31598 no yes 1 70 92000001 20A01 2nd International Conference on Chemo and Bioinformatics, Book of Proceedings, ICCBIKG 2023, September 28-29, 2023 Kragujevac, Serbia 593 596 2023