Category: Machine Learning
In Silico Active Learning for Small Molecule Properties
September 2, 2022Ludwig Schneider#, Marcus Schwarting#, Joshua Mysona, Heyi Liang, Ming Han, Phillip M. Rauscher, Jeffrey M. Ting, Shruti Venkatram, Richard B. Ross, K. J. Schmidt, Ben Blaiszik, Ian Foster, Juan J. de Pablo* Mol. Syst. Des. Eng. 2022, 7 (12), 1611–1621
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