PatCID: Large-scale chemical-structure database from images in patent documents
- Ingmar Meijer
- Valery Weber
- et al.
- 2023
- ACS Fall 2023
Publications
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507 results for Accelerated Discovery
Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Topology-driven pre-training for robust molecular property prediction models
- Aldo Guzmán-Sáenz
- Sanjoy Dey
- 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
Knowledge extraction pipeline with foundation models for material discovery
- Viviane T. Silva
- Breno William Santos Rezende de Carvalho
- 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
Tool to isolate and identify impactful submolecular motifs – rBRICS
- 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
- 2023
- ACS Fall 2023
Expanded Dataset for Improved Prediction of Chemical Biodegradability
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2023
- ACS Fall 2023