Automated conformational analysis: Algorithms for the efficient construction of low-energy conformations
- 1 September 1990
- journal article
- research article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 4 (3) , 271-282
- https://doi.org/10.1007/bf00125015
Abstract
The method of constructing low-energy conformations using template joining can provide an efficient means of searching the conformational space of molecules. The simplest algorithm to perform this task would construct each potential conformation from scratch. However, new algorithms, some of which use techniques from Artificial Intelligence, have been developed which can greatly improve the efficiency of this approach.This publication has 5 references indexed in Scilit:
- The application of Artificial Intelligence to the conformational analysis of strained moleculesJournal of Computational Chemistry, 1990
- An investigation into the construction of molecular models by the template joining methodJournal of Computer-Aided Molecular Design, 1988
- Conformational analysis using a truth maintenance systemJournal of Molecular Graphics, 1988
- WIZARD: AI in conformational analysisJournal of Computer-Aided Molecular Design, 1987
- An assumption-based TMSArtificial Intelligence, 1986