Author

R. Harman

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Biophysics· 1

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Approach:machine learning (classical)· 1 Research Focus:protein folding & dynamics· 1

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A. Aspuru-Guzik· 1 shared A. Jinich· 1 shared B. Sanchez-Lengeling· 1 shared H. Ren· 1 shared

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2019-2019 · peak 1/yr

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1 shared paperBiophysics

A. Aspuru-Guzik

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1 paper

Recent·Most cited

A mixed quantum chemistry/machine learning approach for the fast and accurate prediction of biochemical redox potentials and its large-scale application to 315,000 redox reactions

A. Jinich, B. Sanchez-Lengeling, H. Ren, R. Harman, A. Aspuru-Guzik

The paper develops a hybrid quantum chemistry/machine learning method to predict redox potentials and applies it to 315,000 reactions, outperforming group contribution methods with lower cost.

bioRxiv · Apr 13, 2019Biophysics