Publications

591 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
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 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
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- - Gianmarco Gabrieli
  - Matteo Manica
  - et al.
- 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
Synthesis Platforms for Generating High-Quality Polymer Datasets Utilizing Continuous and Discontinuous Reaction Setups
- - Tim Erdmann
  - Nathaniel Park
  - et al.
- 2023
- ACS Fall 2023
Creating labs that learn through automated data management
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- ACS Fall 2023
PatCID: Large-scale chemical-structure database from images in patent documents
- - Ingmar Meijer
  - Valery Weber
  - 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
Characterization of small molecule latent spaces derived from a variety of generative molecule creation approaches
- - Wendy Cornell
- 2023
- ACS Fall 2023