Using Analogy as Means to AI Explainability
- Vinicius Segura
- Juliana Jansen Ferreira
- et al.
- 2026
- ACS Spring 2026
Conference paper
Publications
26943 results for Science
Dataset Definition in AI for Chemistry: Insights from Data Science Practitioners in Battery and PFAS Research
- Juliana Jansen Ferreira
- Joao Henrique Gallas Brasil
- et al.
- 2026
- ACS Spring 2026
Conference paperPredicting Antibody Relative Binding Free Energies with MD-Derived Graph Neural Networks
- Kevin Cheng
- Jeff Weber
- 2026
- ACS Spring 2026
TalkMSCORE: Multi-Target Protein Design through Compositional Score Combination
- Vadim Ratner
- Yoel Shoshan
- et al.
- 2026
- ACS Spring 2026
TalkPrioritizing Influenza Vaccine Selection with Sequence-Based AI Antigenicity Models
- Kevin Cheng
- Michal Ozery-Flato
- et al.
- 2026
- ACS Spring 2026
TalkPrincipled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- Partha Suryanarayanan
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkTool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- Leili Zhang
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkAssessing Chemical Foundation Models for Glycan Representation and Tasks
- Manuel Ravasqueira
- Joao Bettencourt-Silva
- et al.
- 2026
- ACS Spring 2026
PosterDesigning Agentic AI Systems for Human-Guided Scientific Discovery in Computational Drug Discovery
- Bc Kwon
- Leili Zhang
- et al.
- 2026
- ACS Spring 2026
PosterEmbedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- Tim Rumbell
- Shruti Murarka
- et al.
- 2026
- ACS Spring 2026
Poster