Author

B. Sanchez-Lengeling

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biochemistry· 1 Bioengineering· 1 Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:chromatin & epigenetic regulation· 1 Research Focus:drug response / drug discovery· 1 Approach:graph neural network· 1 Approach:machine learning (classical)· 1 Research Focus:protein folding & dynamics· 1

Frequent Co-Authors

A. Aspuru-Guzik· 2 shared A. Jinich· 2 shared H. Ren· 2 shared A. B. Wiltschko· 1 shared A. Bar-Even· 1 shared A. Flamholz· 1 shared B. K. Lee· 1 shared C. A. R. Cotton· 1 shared

Activity by Year

2018-2022 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 21 mutual co-author links

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2 shared papersBiophysics

A. Aspuru-Guzik

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Author profile →

3 papers

Recent·Most cited

A deep learning and digital archaeology approach for mosquito repellent discovery

J. N. Wei, C. Ruiz, M. Vlot, B. Sanchez-Lengeling, B. K. Lee, L. Berning, M. W. Vos, R. W. Henderson, W. W. Qian, D. M. Ando, K. M. Groetsch, R. C. Gerkin, A. B. Wiltschko, J. A. Riffell, K. J. Dechering

The paper uses a deep learning approach to discover novel mosquito repellents by training a graph neural network on historical data and testing candidates in behavioral assays.

bioRxiv · Sep 1, 2022Bioengineering

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

Quantum chemistry reveals the thermodynamic principles of redoxbiochemistry

A. Jinich, A. Flamholz, H. Ren, S.-J. Kim, B. Sanchez-Lengeling, C. A. R. Cotton, E. Noor, A. Aspuru-Guzik, A. Bar-Even

This study uses quantum chemistry to calculate redox potentials of biochemical reactions, revealing thermodynamic trends and explaining the role of NAD/NADP in cellular metabolism.

bioRxiv · Jan 9, 2018Biochemistry