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Benjamín Sánchez-Lengeling · SciRah

Researcher profile · Semantic Scholar

Benjamín Sánchez-Lengeling

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Benjamín Sánchez-Lengeling — researcher profile on SciRah

h-index: 24
Works: 41
Citations: 12K

Most-cited papers

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
R. Gómez-Bombarelli, Jennifer N. Wei, D. Duvenaud, José Miguel Hernández-Lobato +6 more
2016ACS Central Science3,761 citations Open access
Semantic Scholar
Inverse molecular design using machine learning: Generative models for matter engineering
Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik
2018Science1,939 citations
Semantic Scholar
Rational design of layered oxide materials for sodium-ion batteries
Chenglong Zhao, Qi-Di Wang, Zhen-Peng Yao, Jian-Lin Wang +13 more
2020Science1,221 citations Open access
Semantic Scholar
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil A. Polykovskiy, Alexander Zhebrak, Benjamín Sánchez-Lengeling, Sergey Golovanov +12 more
2018Frontiers in Pharmacology1,002 citations Open access
Semantic Scholar
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
G. L. Guimaraes, Benjamín Sánchez-Lengeling, Pedro Luis Cunha Farias, Alán Aspuru-Guzik
2017arXiv.org591 citations
Semantic Scholar
Inverse Design of Solid-State Materials via a Continuous Representation
Juhwan Noh, Jae-hoon Kim, H. Stein, Benjamín Sánchez-Lengeling +3 more
2019Matter391 citations Open access
Semantic Scholar
Inverse design of nanoporous crystalline reticular materials with deep generative models
Zhen-Peng Yao, Benjamín Sánchez-Lengeling, N. Bobbitt, Benjamin J. Bucior +7 more
2020Nature Machine Intelligence373 citations Open access
Semantic Scholar
Reinforced Adversarial Neural Computer for de Novo Molecular Design
E. Putin, A. Asadulaev, Y. Ivanenkov, V. Aladinskiy +3 more
2018Journal of Chemical Information and Modeling333 citations Open access
Semantic Scholar
A Gentle Introduction to Graph Neural Networks
Benjamín Sánchez-Lengeling, Emily Reif, Adam Pearce, Alexander B. Wiltschko
2021Distill310 citations Open access
Semantic Scholar
Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC)
Benjamín Sánchez-Lengeling, C. Outeiral, G. Guimarães, Alán Aspuru-Guzik
2017289 citations Open access
Semantic Scholar
A Principal Odor Map Unifies Diverse Tasks in Olfactory Perception
Brian K. Lee, Emily J. Mayhew, Benjamín Sánchez-Lengeling, Jennifer N. Wei +10 more
2023Science219 citations Open access
Semantic Scholar
Design Principles and Top Non-Fullerene Acceptor Candidates for Organic Photovoltaics
Steven A. Lopez, Benjamín Sánchez-Lengeling, J. Soares, Alán Aspuru-Guzik
2017Joule196 citations Open access
Semantic Scholar
Evaluating Attribution for Graph Neural Networks
Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Emily Reif +5 more
2020Neural Information Processing Systems159 citations
Semantic Scholar
Materials Acceleration Platforms: On the way to autonomous experimentation
Martha M Flores-Leonar, L. M. Mejia-Mendoza, Andrés Aguilar-Granda, Benjamín Sánchez-Lengeling +3 more
2020140 citations Open access
Semantic Scholar
Delocalized, asynchronous, closed-loop discovery of organic laser emitters
Felix Strieth-Kalthoff, Han Hao, V. Rathore, Joshua Derasp +39 more
2024Science129 citations Open access
Semantic Scholar
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules
Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin +2 more
2019arXiv.org119 citations
Semantic Scholar
A Bayesian Approach to Predict Solubility Parameters
Benjamín Sánchez-Lengeling, L. Roch, J. D. Perea, S. Langner +2 more
2018Advanced Theory and Simulations89 citations Open access
Semantic Scholar
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, Benjamín Sánchez-Lengeling, Haniu Ren, Rebecca C. Harman +1 more
2018bioRxiv74 citations Open access
Semantic Scholar
Introducing a New Potential Figure of Merit for Evaluating Microstructure Stability in Photovoltaic Polymer-Fullerene Blends
J. D. Perea, S. Langner, M. Salvador, Benjamín Sánchez-Lengeling +7 more
201759 citations
Semantic Scholar
A machine learning workflow for molecular analysis: application to melting points
G. Sivaraman, Nicholas E. Jackson, Benjamín Sánchez-Lengeling, Á. Vázquez-Mayagoitia +3 more
2020Machine Learning: Science and Technology45 citations Open access
Semantic Scholar
Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
A. Jinich, Dmitrij Rappoport, Ian S Dunn, Benjamín Sánchez-Lengeling +4 more
2014Scientific Reports39 citations Open access
Semantic Scholar
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS
G. Tom, Riley J. Hickman, Aniket N. Zinzuwadia, A. Mohajeri +2 more
2022Digital Discovery33 citations Open access
Semantic Scholar
Quantum chemistry reveals thermodynamic principles of redox biochemistry
A. Jinich, A. Flamholz, Haniu Ren, Sung-Jin Kim +5 more
2018PLoS Comput. Biol.29 citations Open access
Semantic Scholar
Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs
Daniil A. Boiko, Thiago Reschutzegger, Benjamín Sánchez-Lengeling, Samuel M. Blau +1 more
2024Nature Machine Intelligence26 citations Open access
Semantic Scholar
A Principal Odor Map Unifies Diverse Tasks in Human Olfactory Perception
Brian K. Lee, Emily J. Mayhew, Benjamín Sánchez-Lengeling, Jennifer N. Wei +9 more
2022bioRxiv20 citations Open access
Semantic Scholar
Metabolic activity organizes olfactory representations
Wesley Wei Qian, Jennifer N. Wei, Benjamín Sánchez-Lengeling, Brian K. Lee +6 more
2022bioRxiv19 citations Open access
Semantic Scholar
A thermodynamic atlas of carbon redox chemical space
A. Jinich, Benjamín Sánchez-Lengeling, Haniu Ren, J. Goldford +4 more
2019Proceedings of the National Academy of Sciences of the United States of America17 citations Open access
Semantic Scholar
Ranking over Regression for Bayesian Optimization and Molecule Selection
Gary Tom, Stanley Lo, Samantha Corapi, Alán Aspuru-Guzik +1 more
2024APL Machine Learning14 citations Open access
Semantic Scholar
A deep learning and digital archaeology approach for mosquito repellent discovery
Jennifer N. Wei, Carlos Ruiz, Marnix Vlot, Benjamín Sánchez-Lengeling +12 more
2024bioRxiv9 citations Open access
Semantic Scholar
Learning More, with Less
Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik
2017ACS Central Science8 citations Open access
Semantic Scholar
Does this smell the same? Learning representations of olfactory mixtures using inductive biases
Gary Tom, C. Ser, Ella M. Rajaonson, Stanley Lo +3 more
2025Machine Learning: Science and Technology7 citations Open access
Semantic Scholar
Coronene derivatives for transparent organic photovoltaics through inverse materials design
Jeni C. Sorli, Pascal Friederich, Benjamín Sánchez-Lengeling, Nicholas C. Davy +8 more
2021Journal of Materials Chemistry C7 citations Open access
Semantic Scholar
From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases
Gary Tom, C. Ser, Ella M. Rajaonson, Stanley Lo +3 more
2025arXiv.org5 citations
Semantic Scholar
A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points
G. Sivaraman, Nicholas E. Jackson, Benjamín Sánchez-Lengeling, Á. Vázquez-Mayagoitia +3 more
20195 citations Open access
Semantic Scholar
The Chemistry of Smell: Learning Generalizable Perceptual Representations of Small Molecules
Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin +3 more
20194 citations
Semantic Scholar
The thermodynamic landscape of carbon redox biochemistry
A. Jinich, Benjamín Sánchez-Lengeling, Haniu Ren, J. Goldford +4 more
20192 citations
Semantic Scholar
ORGANIC (1).pdf
Benjamín Sánchez-Lengeling, C. Outeiral, G. Guimarães, Alán Aspuru-Guzik
20172 citations Open access
Semantic Scholar
Graph Data Modeling: Molecules, Proteins, & Chemical Processes
José Manuel Barraza-Chavez, R. A. Barghout, Ricardo Almada-Monter, A. Jinich +2 more
2025ACS In Focus1 citations Open access
Semantic Scholar
On the Selectivity of Generative Models in Structure-Based Drug Design
Ella M. Rajaonson, Jungyoon Lee, William Chau, Alán Aspuru-Guzik +4 more
20260 citations
Semantic Scholar
Quantum chemistry reveals the thermodynamic principles of redox biochemistry
A. Jinich, A. Flamholz, Haniu Ren, Sung-Jin Kim +5 more
2018bioRxiv0 citations Open access
Semantic Scholar
A diversiﬁed machine learning strategy for predicting and understanding molecular melting points
G. Sivaraman, Nicholas E. Jackson, Benjamín Sánchez-Lengeling, Á. Vázquez-Mayagoitia +2 more
0 citations
Semantic Scholar

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