Lifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- et al.
- 2024
- ACS Fall 2024
Talk
Publications
22 results at ACS Fall 2024
Predicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
TalkCombining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- ACS Fall 2024
TalkPFACTS: Faster solutions for forever chemicals
- Brandi Ransom
- Dan Sanders
- et al.
- 2024
- ACS Fall 2024
TalkAI-Assisted Raman Spectral Peak Label Assignment
- Ademir Ferreira Da Silva
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
TalkBalancing Computational Chemistry's Green Potential With Its Environmental Impact
- Oliver Schilter
- Teodoro Laino
- et al.
- 2024
- ACS Fall 2024
TalkTowards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- Joseph Morrone
- Diwakar Mahajan
- et al.
- 2024
- ACS Fall 2024
TalkMorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features
- 2024
- ACS Fall 2024
TalkMultimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
TalkAnalysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
Poster