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SELFIES and the future of molecular string representations.
Patterns (N Y). 2022 Oct 14;3(10):100588. doi: 10.1016/j.patter.2022.100588. eCollection 2022 Oct 14.
Patterns (N Y). 2022.
PMID: 36277819
Free PMC article.
Review.
Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry.
Wehmeyer C, Falk von Rudorff G, Wolf S, Kabbe G, Schärf D, Kühne TD, Sebastiani D.
Wehmeyer C, et al. Among authors: falk von rudorff g.
J Chem Phys. 2012 Nov 21;137(19):194110. doi: 10.1063/1.4766821.
J Chem Phys. 2012.
PMID: 23181297
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