AkshatKumar Nigam
Stanford Medicine(US)Stanford University(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Structure and Dynamics, Advanced Multi-Objective Optimization Algorithms, Chemical Synthesis and Analysis
Most-Cited Works
- → Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation(2020)726 cited
- → Data-Driven Strategies for Accelerated Materials Design(2021)451 cited
- → On scientific understanding with artificial intelligence(2022)330 cited
- → A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis(2022)306 cited
- → SELFIES and the future of molecular string representations(2022)250 cited
- → Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES(2021)158 cited
- → Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space(2019)94 cited
- → Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design(2022)93 cited
- SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry.(2019)
- → Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors(2025)48 cited