Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies-Reference-Cited by-同舟云学术

Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Prediction of Tautomerization Energies

Author:

Vazquez-Salazar Luis Itza¹^ORCID,Boittier Eric D.¹,Unke Oliver T.²³,Meuwly Markus¹⁴^ORCID

Affiliation:

1. Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

2. Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany

3. DFG Cluster of Excellence “Unifying Systems in Catalysis” (UniSysCat), Technische Universität Berlin, 10623 Berlin, Germany

4. Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States

Funder

Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung

Universit??t Basel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference83 articles.

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