Time-efficient flexible superposition of medium-sized molecules
- 1 January 1997
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 11 (4), 357-368
- https://doi.org/10.1023/a:1007959729800
Abstract
We present an efficient algorithm for the structural alignment of medium-sized organic molecules. The algorithm has been developed for applications in 3D QSAR and in receptor modeling. The method...Keywords
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