Balancing Computational Chemistry's Green Potential With Its Environmental Impact
- Oliver Schilter
- Teodoro Laino
- et al.
- 2024
- ACS Fall 2024
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450 results for Accelerated Discovery
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- ACS Fall 2024
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approach
- Matheus Esteves Ferreira
- Geisa Lima
- et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- 2024
- ACS Fall 2024
Lifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- et al.
- 2024
- ACS Fall 2024
Using Domain Specific Languages to Enable Artificial Intelligence for Polymer and Catalyst Design
- 2024
- MRS Spring Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- Tim Erdmann
- Stefan Zecevic
- et al.
- 2024
- ACS Spring 2024
Integrating ADME-Tox properties of PFAS described in public and private knowledge bases using Wikidata
- 2024
- ACS Spring 2024
Advancing Molecular Property Prediction through Multi-view Latent Space Fusion
- Eduardo Almeida Soares
- Akihiro Kishimoto
- et al.
- 2024
- ACS Spring 2024