3910687
QuantumPioneer: Self-evolving machine for high-throughput automated potential energy surface exploration and chemical reactivity discovery
Date
August 17, 2023
Explore related products in the following collection:
Related Products
CINF CSA Trust Meeting
DIVISION/COMMITTEE: [CINF] Division of Chemical Information
CINF Virtual Welcome Reception
DIVISION/COMMITTEE: [CINF] Division of Chemical Information
Datasets and Chemprop machine-learning software for molecular & reaction property prediction
Chemical space is large, and experiments on never-studied or never-synthesized molecules or reactions are expensive and time-consuming, so we need the ability to accurately predict chemical properties and reaction parameters…