Publications

522 results for Accelerated Discovery

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
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
Accelerated Electrolyte Discovery using Data Driven Approach
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Tool to isolate and identify impactful submolecular motifs – rBRICS
- - Leili Zhang
- 2023
- ACS Fall 2023
Expanded Dataset for Improved Prediction of Chemical Biodegradability
- - Eduardo Almeida Soares
  - Victor Shirasuna
  - et al.
- 2023
- ACS Fall 2023
Fueling the Digital Chemistry Revolution with Language Models
- - Antonio Cardinale
  - Alessandro Castrogiovanni
  - et al.
- 2023
- Chimia
Standardizing chemical compounds with language models
- - Miruna T Cretu
  - Alessandra Toniato
  - et al.
- 2023
- Machine Learning: Science and Tech.
Integrating Chemical Language and Physicochemical Features for Enhanced Molecular Property Prediction with Multimodal Language Models
- 2023
- KDD 2023
Scope 3 emission estimation using large language models
- - Ayush Jain
  - Manikandan Padmanaban
  - et al.
- 2023
- KDD 2023
Polymeric Giant Unilamellar Vesicles with Integrated DNA-Origami Nanopores: An Efficient Platform for Tuning Bioreaction Dynamics Through Controlled Molecular Diffusion
- - Rémy Cochereau
  - Viviana Maffeis
  - et al.
- 2023
- Advanced Functional Materials