Population-based de novo molecule generation, using grammatical evolution N Yoshikawa, K Terayama, M Sumita, T Homma, K Oono, K Tsuda Chemistry Letters 47 (11), 1431-1434, 2018 | 115 | 2018 |
Fast, efficient fragment-based coordinate generation for Open Babel N Yoshikawa, GR Hutchison Journal of cheminformatics 11 (1), 49, 2019 | 71 | 2019 |
Assigning confidence to molecular property prediction AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ... Expert opinion on drug discovery 16 (9), 1009-1023, 2021 | 47 | 2021 |
Errors are useful prompts: Instruction guided task programming with verifier-assisted iterative prompting M Skreta, N Yoshikawa, S Arellano-Rubach, Z Ji, LB Kristensen, ... arXiv preprint arXiv:2303.14100, 2023 | 30 | 2023 |
Large language models for chemistry robotics N Yoshikawa, M Skreta, K Darvish, S Arellano-Rubach, Z Ji, ... Autonomous Robots 47 (8), 1057-1086, 2023 | 15 | 2023 |
Automatic differentiation for the direct minimization approach to the Hartree–Fock method N Yoshikawa, M Sumita The Journal of Physical Chemistry A 126 (45), 8487-8493, 2022 | 11* | 2022 |
Digital pipette: Open hardware for liquid transfer in self-driving laboratories N Yoshikawa, K Darvish, MG Vakili, A Garg, A Aspuru-Guzik Digital Discovery 2 (6), 1745-1751, 2023 | 7 | 2023 |
Chemistry lab automation via constrained task and motion planning N Yoshikawa, AZ Li, K Darvish, Y Zhao, H Xu, A Kuramshin, ... arXiv preprint arXiv:2212.09672, 2022 | 7* | 2022 |
Twitter integration of chemistry software tools N Yoshikawa, R Kubo, KZ Yamamoto Journal of Cheminformatics 13 (1), 46, 2021 | 6 | 2021 |
Augmented Lagrangian method for spin‐coupled wave function M Sumita, N Yoshikawa International Journal of Quantum Chemistry 121 (18), e26746, 2021 | 4 | 2021 |
Self-Driving Laboratories for Chemistry and Materials Science G Tom, SP Schmid, SG Baird, Y Cao, K Darvish, H Hao, S Lo, ... | 1 | 2024 |
ORGANA: A Robotic Assistant for Automated Chemistry Experimentation and Characterization K Darvish, M Skreta, Y Zhao, N Yoshikawa, S Som, M Bogdanovic, Y Cao, ... arXiv preprint arXiv:2401.06949, 2024 | 1 | 2024 |
LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry K Murakumo, N Yoshikawa, K Rikimaru, S Nakamura, K Furui, T Suzuki, ... AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023 | 1 | 2023 |
Sanitize It Yourself: Web-based molecular sanitization for machine-generated chemical structures N Yoshikawa, K Rikimaru, K Yamamoto | 1 | 2021 |
Combining probabilistic alignments with read pair information improves accuracy of split-alignments AMS Shrestha, N Yoshikawa, K Asai Bioinformatics 34 (21), 3631-3637, 2018 | 1 | 2018 |
From Eyes to Cameras: Computer Vision for High-Throughput Liquid-Liquid Separation R El-khawaldeh, A Mandal, N Yoshikawa, W Zhang, R Corkery, P Prieto, ... | | 2024 |
Chemspyd: An Open-Source Python Interface for Chemspeed Robotic Chemistry and Materials Platforms M Seifrid, F Strieth-Kalthoff, M Haddadnia, T Wu, E Alca, L Bodo, ... | | 2024 |
Does one need to polish electrodes in an eight pattern? Automation provides the answer. N Yoshikawa, GD Akkoc, S Pablo-García, Y Cao, H Hao, A Aspuru-Guzik | | 2024 |
An affordable platform for automated synthesis and electrochemical characterization S Pablo-García, Á García, GD Akkoc, M Sim, Y Cao, M Somers, C Hattrick, ... | | 2024 |