An analysis of the autocorrelation descriptor for molecules

DOI10.1023/A:1023247831238MaRDI QIDQ1397282zbMATH OpenOpenAlexFDO

Authors Boris Hollas

Publication date 27 July 2003

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

Full work available at URL https://doi.org/10.1023/a:1023247831238

zbMATH Keywords

correlationrandom graphsmolecular descriptor

Mathematics Subject Classification ID

Applications of graph theory (05C90) Random graphs (graph-theoretic aspects) (05C80) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Molecular descriptors and quasi-distribution functions
• Statistical spectroscopy as a tool for the study of molecular similarity
• scientific article; zbMATH DE number 2215879
• Moments of inertia of spectra and distribution moments as molecular descriptors
• Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
• A selection method for molecular descriptors and QSPR equations
• Comparative study on structural sensitivity of eigenvalue-based molecular descriptors
• Molecular structure descriptors for Volkmann trees
• New spectral indices for molecule description
• scientific article; zbMATH DE number 6127695

Cited in

(6)

• Asymptotically independent topological indices on random trees
• Statistical properties of spectra of chloronaphthalenes
• An analysis of the redundancy of graph invariants used in chemoinformatics
• scientific article; zbMATH DE number 2215879 (Why is no real title available?)
• DRAGON software: an easy approach to molecular descriptor calculations
• scientific article; zbMATH DE number 2010144 (Why is no real title available?)

This page was built for publication: An analysis of the autocorrelation descriptor for molecules

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1397282)