Physics-informed categorization of data modalities used in AI-assisted drug discovery
- 2025
- ACS Spring 2025
Publications
Date
Featured collections
- ACS Spring 2025
Popular topics
27 results at ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- Carlos Raoni De Alencar Mendes
- Leonardo Noia Nanci de Araujo Silva
- et al.
- 2025
- ACS Spring 2025
User centered approach of applicability domain analysis for improving AI-assisted decision-making
- Siya Kunde
- Emilio Ashton Vital Brazil
- 2025
- ACS Spring 2025
Study planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- ACS Spring 2025
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Constructing an open database of barrier heights for diverse elementary organic reactions
- Derek Ahneman
- Brandi Ransom
- 2025
- ACS Spring 2025