The Determination of Maximum Common Substructures by a Genetic Algorithm: Application in Synthesis Design and for the Structural Analysis of Biological Activity
- 22 June 1994
- journal article
- Published by Wiley in Angewandte Chemie International Edition in English
- Vol. 33 (11) , 1189-1192
- https://doi.org/10.1002/anie.199411891
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- Chemlnform - Vom gedruckten Referatedienst zur ReaktionendatenbankNachrichten aus Chemie, Technik und Laboratorium, 1992
- MCSS: a new algorithm for perception of maximal common substructures and its application to NMR spectral studies. 1. The algorithmJournal of Chemical Information and Computer Sciences, 1992
- Multicriteria target vector optimization of analytical procedures using a genetic algorithm: Part I. Theory, numerical simulations and application to atomic emission spectroscopyAnalytica Chimica Acta, 1992
- Common substructures in groups of compounds exhibiting similar mass spectraAnalytical and Bioanalytical Chemistry, 1992
- Backtrack search algorithms and the maximal common subgraph problemSoftware: Practice and Experience, 1982
- Use of a maximum common subgraph algorithm in the automatic identification of ostensible bond changes occurring in chemical reactionsJournal of Chemical Information and Computer Sciences, 1981
- Steps toward the Automatic Compilation of Synthetic Organic ReactionsJournal of Chemical Information and Computer Sciences, 1979
- Computer-Assisted Examination of Chemical Compounds for Structural SimilaritiesJournal of Chemical Information and Computer Sciences, 1979
- Computer-aided interpretation of mass spectra. 20. Molecular structure comparison program for the identification of maximal common substructuresJournal of the American Chemical Society, 1977
- Approximation des equations d'evolution du premier ordre ent par des schemas a un degre de liberteCalcolo, 1972