Putting molecular similarity into context: asymmetric indices for field-based similarity meas\-ures

DOI10.1007/s10910-005-9007-3zbMath1096.92063OpenAlexW2138729188WikidataQ57012670 ScholiaQ57012670MaRDI QIDQ2503717

Jordi Mestres, Gerald M. Maggiora

Publication date: 22 September 2006

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

Full work available at URL: https://doi.org/10.1007/s10910-005-9007-3

zbMATH Keywords

virtual screeningsimilarity searchingmolecular fieldsasymmetric similarity

Mathematics Subject Classification ID

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

Cites Work

• Unnamed Item
• Monotonic models for asymmetric proximities
• On quantum molecular similarity measures (QMSM) and indices (QMSI)
• A general analysis of field-based molecular similarity indices

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