Lifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- et al.
- 2024
- ACS Fall 2024
Publications
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508 results for Accelerated Discovery
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
Predicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
Balancing Computational Chemistry's Green Potential With Its Environmental Impact
- Oliver Schilter
- Teodoro Laino
- et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- 2024
- ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reduction
- Jie Shi
- Kevin Cheng
- et al.
- 2024
- ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ACS Fall 2024
Analysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
Advanced Learning for Chemistry Interpretation and Integrated Molecule
- 2024
- ACS Fall 2024
Simulating Carbon Dioxide Injection, Trapping, and Storage in Digital Rock
- 2024
- Interpore Brazil 2024