De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
- 1 January 2000
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 14 (5) , 487-494
- https://doi.org/10.1023/a:1008184403558
Abstract
An evolutionary algorithm was developed for fragment-based de novo design of molecules (TOPAS, TOPology- Assigning System). This stochastic method aims at generating a novel molecular structure...Keywords
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