Publications

26944 results for Science

Predicting the right Reaction Solvents in Organic Synthesis using Artificial Intelligence
- - Oliver Schilter
  - Carlo Baldassari
  - et al.
- 2023
- ACS Fall 2023
Talk
PatCID: Large-scale chemical-structure database from images in patent documents
- - Ingmar Meijer
  - Valery Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- ACS Fall 2023
Talk
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
Talk
Creating labs that learn through automated data management
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- ACS Fall 2023
Talk
Interpretable latent representations for molecular property prediction models
- - Sanjoy Dey
  - Partha Suryanarayanan
  - et al.
- 2023
- ACS Fall 2023
Talk
Accelerated Electrolyte Discovery using Data Driven Approach
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Poster
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
Poster
Tool to isolate and identify impactful submolecular motifs – rBRICS
- - Leili Zhang
- 2023
- ACS Fall 2023
Poster
Expanded Dataset for Improved Prediction of Chemical Biodegradability
- - Eduardo Almeida Soares
  - Victor Shirasuna
  - et al.
- 2023
- ACS Fall 2023
Demo paper