Machine learning and big-data in computational chemistry Submitted by kpg@mit.edu on Fri, 2022-02-04 19:11 R. Gómez-Bombarelli and Aspuru-Guzik, A., “Machine learning and big-data in computational chemistry”, Handbook of Materials Modeling: Methods: Theory and Modeling, pp. 1939–1962, 2020. Log in to post commentsGoogle Scholar