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
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456 results for Accelerated Discovery
Deep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- ACS Fall 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- Andrea Antonia Byekwaso
- Alain Vaucher
- et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global Challenges
- 2024
- MRS Fall Meeting 2024
Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Computational Materials Discovery for Carbon Dioxide Capture Applications
- 2024
- APS March Meeting 2024
Application of Organic Catalysis and Sustainable Chemistry Towards Materials Discovery
- James Hedrick
- 2023
- ACS Fall 2023
Carbon dioxide sourced functional cyclic carbonates used to prepare macromolecular therapeutics to treat infectious disease and cancer
- James Hedrick
- 2023
- ACS Fall 2023