AkshatKumar Nigam

Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation

Mario Krenn, Florian Häse, AkshatKumar Nigam et al. · Repository KITopen (Karlsruhe Institute of Technology) · 2020 · 726 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +24

Data-Driven Strategies for Accelerated Materials Design

Robert Pollice, Gabriel dos Passos Gomes, Matteo Aldeghi et al. · Accounts of Chemical Research · 2021 · 439 citations · Full text

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Tobias Gensch, Gabriel dos Passos Gomes, Pascal Friederich et al. · Journal of the American Chemical Society · 2022 · 300 citations

Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES

AkshatKumar Nigam, Robert Pollice, Mario Krenn et al. · Chemical Science · 2021 · 152 citations · Full text

Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space

AkshatKumar Nigam, Pascal Friederich, Mario Krenn et al. · arXiv (Cornell University) · 2019 · 94 citations · Full text

Artificial Intelligence, Evolving Neural Network, Deep Neural Networks +15