Publications

538 results for Accelerated Discovery

Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- - Eduardo Almeida Soares
  - Karen Fiorella Aquino Gutierrez
  - et al.
- 2023
- ACS Fall 2023
AI-directed discovery of high entropy electrolyte formulations for batteries using interhalogen cathodes and lithium metal anodes
- - Maxwell Giammona
  - Vidushi Sharma
  - 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
Knowledge extraction pipeline with foundation models for material discovery
- - Viviane T. Silva
  - Breno William Santos Rezende de Carvalho
  - et al.
- 2023
- ACS Fall 2023
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- - Jeff Weber
- 2023
- ACS Fall 2023
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networks
- - David Alejandro Lazo Vasquez
  - Jaione Tirapu Azpiroz
  - et al.
- 2023
- ACS Fall 2023
Tool to isolate and identify impactful submolecular motifs – rBRICS
- - Leili Zhang
- 2023
- ACS Fall 2023
Accelerated Electrolyte Discovery using Data Driven Approach
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- - Seung Gu Kang
  - Shaima Muhammednazaar
  - et al.
- 2023
- ACS Fall 2023