Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines

Gianmarc Grazioli, Saswata Roy, Carter T. Butts. Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines. Journal of Chemical Information and Computer Sciences, 59(6):2753-2764, 2019. [doi]

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