Publications

24509 results for Exploratory Science

How to generalize machine learning models to both canonical and non-canonical peptides
- - Raúl Fernández Díaz
  - Rodrigo Ochoa
  - 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
Improved sample-based quantum diagonalization via randomized Hamiltonian simulation
- - Max Rossmannek
  - Samuele Piccinelli
- 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
Triple activation of germinated seeds diversifies protein breakdown
- - Indrani Bera
  - Raúl Fernández Díaz
  - et al.
- 2025
- ACS Fall 2025
Vibrational analysis of gas adsorption in metal-organic frameworks
- - Pamela Costa Carvalho
  - Matheus Esteves Ferreira
  - et al.
- 2025
- ACS Fall 2025
How Defects Freeze Ripples in 2D Materials
- - Fabian Thiemann
  - Camille Scalliet
  - 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
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - 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