A general analysis of field-based molecular similarity indices

DOI10.1023/A:1020784004649zbMath1032.92039OpenAlexW175340435WikidataQ57012689 ScholiaQ57012689MaRDI QIDQ1850916

James D. Petke, Jordi Mestres, Gerald M. Maggiora

Publication date: 15 December 2002

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1023/a:1020784004649

zbMATH Keywords

inner product of field functions

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (3)

Formal theory of the comparative relations: its application to the study of quantum similarity and dissimilarity measures and indices ⋮ Putting molecular similarity into context: asymmetric indices for field-based similarity meas\-ures ⋮ On the impossibility of unambiguously selecting the best model for fitting data

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