"Predicting Reaction Products and Automating Reactive Trajectory ..."

Gianmarc Grazioli, Saswata Roy, Carter T. Butts (2019)

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DOI: 10.1021/ACS.JCIM.9B00134

access: closed

type: Journal Article

metadata version: 2021-06-01

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Gianmarc Grazioli, Saswata Roy, Carter T. Butts:
Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines. J. Chem. Inf. Model. 59(6): 2753-2764 (2019)

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