Computation of the molecular shapes' similarity and diversity using USR method and general shape index
type: Item
instance of: scholarly article
title: Computation of the molecular shapes' similarity and diversity using USR method and general shape index
zbMATH Open document ID: 1331.92169
author: Laszlo Tarko
publication date: 2015-09-04T00:00:00Z
Mathematics Subject Classification ID: 92E10
Mathematics Subject Classification ID: 94A17
zbMATH DE Number: 6478566
zbMATH Keywords: molecular shape
zbMATH Keywords: molecular similarity
zbMATH Keywords: Shannon entropy
zbMATH Keywords: USR method
zbMATH Keywords: QSAR axiom
MaRDI profile type: Publication
full work available at URL: s10910-015-0506-6
OpenAlex ID: W293911087
cites work: QSAR and the ultimate molecular descriptor: The shape of electron density clouds
cites work: Molecular fragment shape variation index for functional groups and the holographic properties of electron density
cites work: Ultrafast shape recognition for similarity search in molecular databases
cites work: A NEW MEASURE OF RANK CORRELATION
cites work: A Mathematical Theory of Communication
cites work: The effect of the diversity of molecules in sets and similarity of sets on the quality of prediction in QSAR studies
cites work: A new manner to use application of Shannon entropy in similarity computation
DOI: 10.1007/S10910-015-0506-6
published in: Journal of Mathematical Chemistry
description: scientific article; zbMATH DE number 6478566