An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds
Author:
Affiliation:
1. Department of Chemistry, Norwegian University of Science and Technology, N-7491, Trondheim, Norway
2. Department of Chemistry, University of Bergen, Allégaten 41, N-5007 Bergen, Norway
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja300865u
Reference85 articles.
1. The impact of informatics and computational chemistry on synthesis and screening
2. Retrospect and Prospect of Virtual Screening in Drug Discovery
3. Virtual screening and fast automated docking methods
4. Docking and scoring in virtual screening for drug discovery: methods and applications
5. Virtual screening: an endless staircase?
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