Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
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32 results at ACS Fall 2022
Combining physics-based modeling and graph neural networks for drug discovery
- 2022
- ACS Fall 2022
Studying the physics of carbon dioxide storage at microscopic scale with simulations and experiments
- 2022
- ACS Fall 2022
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- Daniel Probst
- Anastasia Sveshnikova
- et al.
- 2022
- ACS Fall 2022
Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- Alain Vaucher
- Fiona Shortt de Hernandez
- et al.
- 2022
- ACS Fall 2022
Deep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Carbon dioxide sourced functional cyclic carbonates used to prepare macromolecular therapeutics to treat infectious disease and cancer
- James Hedrick
- 2022
- ACS Fall 2022
Neuro-symbolic reinforcement learning for polymer discovery
- Sarath Swaminathan
- Dmitry Zubarev
- 2022
- ACS Fall 2022
Universal reagents for CO2 capture, storage, and upcycling into value-added polymer
- Dino Wu
- Nathaniel Park
- et al.
- 2022
- ACS Fall 2022
Oxidizing gas enhancement of lithium-iodine batteries: Towards practical iodine cathodes and viable lithium metal protection strategies
- Maxwell Giammona
- Linda Sundberg
- et al.
- 2022
- ACS Fall 2022