Benjamín Sánchez-Lengeling

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

Rational design of layered oxide materials for sodium-ion batteries

Chenglong Zhao, Zhenpeng Yao, Jianlin Wang et al. · Science · 2020 · 1.4K citations

Natural Sciences, Chemistry, Materials Science +17

Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

Gabriel Lima Guimaraes, Benjamín Sánchez-Lengeling, Pedro Luis Cunha Farias et al. · arXiv (Cornell University) · 2017 · 499 citations · Full text

Computing, Computer Science, Machine Learning +8

Reinforced Adversarial Neural Computer for <i>de Novo</i> Molecular Design

Arip Asadulaev, Yan A. Ivanenkov, Vladimir Aladinskiy et al. · Journal of Chemical Information and Modeling · 2018 · 387 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +12

Inverse design of nanoporous crystalline reticular materials with deep generative models

Zhenpeng Yao, Benjamín Sánchez-Lengeling, N. Scott Bobbitt et al. · Nature Machine Intelligence · 2021 · 379 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15