User centered approach of applicability domain analysis for improving AI-assisted decision-making
- 2025
- ACS Spring 2025
Publications
Date
Featured collections
Popular topics
26247 results for Science
Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
Automated tools for FAIRness assessment considering Chemical Digital Objects
- 2025
- ACS Spring 2025
Physics-informed categorization of data modalities used in AI-assisted drug discovery
- 2025
- ACS Spring 2025
Extracting Electrolyte Design from Interpretable Data-Driven Methods
- 2025
- ACS Spring 2025
Modeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Sample-based quantum diagonalization for electronic structure on quantum-centric supercomputers
- Mario Motta
- 2025
- 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
Uncertainty Characterization of Foundation Models for Reliable Applications in Materials and Chemistry
- Emilio Ashton Vital Brazil
- Priscilla Barreira Avegliano
- et al.
- 2025
- ACS Spring 2025
Heterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025