Fast Substructure Search in Combinatorial Library Spaces
Author:
Affiliation:
1. Scientific Computing Drug Discovery, Idorsia Pharmaceuticals, Ltd., CH-4123 Allschwil, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00290
Reference17 articles.
1. SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules
2. Enamine REAL Space and REAL Database, 2022. https://enamine.net/compound-collections/real-compounds/real-space-navigator (accessed 2023–01–03).
3. Efficient Exploration of Large Combinatorial Chemistry Spaces by Monomer-Based Similarity Searching
4. Topological Similarity Search in Large Combinatorial Fragment Spaces
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