Publications

26390 results for Science

From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- ACS Fall 2025
Raman-spectroscopic evidence of CO2 adsorption in single MOF crystals
- - Matheus Esteves Ferreira
  - Geisa Lima
  - et al.
- 2025
- ACS Fall 2025
Investigating the role of activation in CO2 and N2 adsorption in Flexible MOFs
- - Geisa Lima
  - Matheus Esteves Ferreira
  - et al.
- 2025
- ACS Fall 2025
Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- - Ronaldo Giro
  - Thiago Reschutzegger
  - et al.
- 2025
- ACS Fall 2025
Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- - Marvin Alberts
  - Teodoro Laino
- 2025
- ACS Fall 2025
Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- - Rodrigo Neumann Barros Ferreira
  - Yogesh Joshi
  - et al.
- 2025
- ACS Fall 2025
How to generalize machine learning models to both canonical and non-canonical peptides
- - Raúl Fernández Díaz
  - Rodrigo Ochoa
  - et al.
- 2025
- ACS Fall 2025
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- - Michal Ozery-Flato
  - Ella Barkan
  - et al.
- 2025
- ACS Fall 2025
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2025
- ACS Fall 2025