Publications

591 results for Accelerated Discovery

PFACTS: Faster solutions for forever chemicals
- - Dan Sanders
  - Brandi Ransom
  - et al.
- 2025
- ACS Spring 2025
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2025
- ACS Spring 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2025
- ACS Spring 2025
Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation Models
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
Automated tools for FAIRness assessment considering Chemical Digital Objects
- - Leonardo Guerreiro Azevedo
  - Viviane T. Silva
  - et al.
- 2025
- ACS Spring 2025
Novel LLM-powered assistant facilitating data visualization in research and education
- - Tim Erdmann
  - Holt Bui
  - et al.
- 2025
- ACS Spring 2025
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- 2025
- ACS Spring 2025
ML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway Compartmentalization
- - Jie Shi
  - Jordan Baker
  - 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
Study planning assistant: Supporting material discovery with agentic workflows
- - Viviane T. Silva
  - Renato Fontoura de Gusmao Cerqueira
  - et al.
- 2025
- ACS Spring 2025