Molecular Descriptors for Chemoinformatics

2009/07/15 by Roberto Todeschini, Viviana Consonni · 1 voice · 12 citations
Computer Science · #Computational Drug Discovery Methods

paper · doi:10.1002/9783527628766

openalex publication_date 2009/07/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/11

Abstract

Volume I: ALPHABETICAL LISTING Introduction Historical Perspective QSAR/QSPR Modeling How to Learn From This Book Users Guide Notations and Symbols Alphabetical Listing of approx. 3300 entries Greek Alphabet Entries Numerical Entries Volume II: APPENDICES, REFERENCES Full bibliography of more than 6000 references, selected from 450 journals and covering the period from the beginning of molecular descriptor research until the year 2008 Greek alphabets Acronyms Molecular structures

Cited by

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• On structural properties of trees with minimal atom-bond connectivity\n index IV: Solving a conjecture about the pendent paths of length three
• On Extremal Graphs of Weighted Szeged Index
• Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey
• Several topological indices of random caterpillars
• Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals
• LengthLogD: A Length-Stratified Ensemble Framework for Enhanced Peptide Lipophilicity Prediction via Multi-Scale Feature Integration
• Optimal inequalities and extremal problems on the general Sombor index
• Minimum Weighted Szeged Index Trees
• PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
• Mordred: a molecular descriptor calculator
• General properties on Sombor indices

Discussions

• #descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky Unsaturation Index has been described in Todeschini, R., & Consonni, V. (2009). Molecular Descriptors for Chemoinfo [bsky, 0 points, 0 comments]