Naslov (eng)

A metric for pairwise similarity analysis of binary cheminformatics data

Autor

Redžepović, Izudin

Opis (eng)

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.

Jezik

engleski

Datum

2023

Licenca

© All rights reserved

Predmet

Keywords: molecular similarity, molecular structure, binary vectors, molecular fingerprints, similarity measure.

Deo kolekcije (1)

o:28516

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