203 citations · 461 across the 14 of their papers we have counts for
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physics.chem-ph2020
Machine learning of solvent effects on molecular spectra and reactions
Michael Gastegger, Kristof T. Schütt, Klaus-Robert Müller
Fast and accurate simulation of complex chemical systems in environments such as solutions is a long standing challenge in theoretical chemistry. In recent years, machine learning…
cs.LG2020★ 3 cited
Towards CRISP-ML(Q): A Machine Learning Process Model with Quality Assurance Methodology
Stefan Studer, Thanh Binh Bui, Christian Drescher +4
Machine learning is an established and frequently used technique in industry and academia but a standard process model to improve success and efficiency of machine learning applica…