Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global Challenges
- 2024
- MRS Fall Meeting 2024
Publications
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90 results for Renato Cerqueira
PFACTS: Faster solutions for forever chemicals
- Brandi Ransom
- Dan Sanders
- et al.
- 2024
- ACS Fall 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
Lessons learned in Knowledge Extraction from Unstructured Data with LLMs for Material Discovery
- Viviane T. Silva
- João Pedro Gandarela de Souza
- et al.
- 2024
- ACS Spring 2024
Predictive Supremacy of Chemical Foundational Model for Battery Electrolytes
- 2023
- MRS Fall Meeting 2023
An AI-assisted Workbench for Material Discovery
- 2023
- ACS Fall 2023
Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- Eduardo Almeida Soares
- Karen Fiorella Aquino Gutierrez
- et al.
- 2023
- ACS Fall 2023
ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule Analysis
- 2024
- MRS Fall Meeting 2024
Expanded Dataset for Improved Prediction of Chemical Biodegradability
- 2023
- ACS Fall 2023