Publications

536 results for Accelerated Discovery

Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- - Jeff Weber
- 2023
- ACS Fall 2023
Predicting the right Reaction Solvents in Organic Synthesis using Artificial Intelligence
- - Oliver Schilter
  - Carlo Baldassari
  - et al.
- 2023
- ACS Fall 2023
Knowledge extraction pipeline with foundation models for material discovery
- - Viviane T. Silva
  - Breno William Santos Rezende de Carvalho
  - et al.
- 2023
- ACS Fall 2023
Understanding the role of mass transport and lithium interphase design in enabling conversion batteries
- - Murtaza Zohair
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Synthesis Platforms for Generating High-Quality Polymer Datasets Utilizing Continuous and Discontinuous Reaction Setups
- - Tim Erdmann
  - Nathaniel Park
  - et al.
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- ACS Fall 2023
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- - Gianmarco Gabrieli
  - Matteo Manica
  - et al.
- 2023
- ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspective
- - Leili Zhang
- 2023
- ACS Fall 2023
Characterization of small molecule latent spaces derived from a variety of generative molecule creation approaches
- - Wendy Cornell
- 2023
- ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023