Rafael Gómez‐Bombarelli

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud et al. · Cambridge University Engineering Department Publications Database · 2018 · 2K citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

Rafael Gómez‐Bombarelli, Jorge Aguilera‐Iparraguirre, Timothy Hirzel et al. · Nature Materials · 2016 · 1.1K citations

Natural Sciences, Chemistry, Physics +11

Convolutional Networks on Graphs for Learning Molecular Fingerprints

David Duvenaud, Dougal Maclaurin, Jorge Aguilera‐Iparraguirre et al. · arXiv (Cornell University) · 2015 · 906 citations · Full text

Computing, Computer Science, Data Science +17

A redox-flow battery with an alloxazine-based organic electrolyte

Kaixiang Lin, Rafael Gómez‐Bombarelli, Eugene S. Beh et al. · Nature Energy · 2016 · 558 citations · Full text

Natural Sciences, Chemical Engineering, Materials Science +14

What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery

Edward O. Pyzer‐Knapp, Changwon Suh, Rafael Gómez‐Bombarelli et al. · Annual Review of Materials Research · 2015 · 322 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +14