Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- Eduardo Almeida Soares
- Karen Fiorella Aquino Gutierrez
- et al.
- 2023
- ACS Fall 2023
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43 results at 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
Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Creating labs that learn through automated data management
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- ACS Fall 2023
AI-directed discovery of high entropy electrolyte formulations for batteries using interhalogen cathodes and lithium metal anodes
- 2023
- ACS Fall 2023
An AI-assisted Workbench for Material Discovery
- Emilio Ashton Vital Brazil
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- 2023
- ACS Fall 2023
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- 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
Accelerated Electrolyte Discovery using Data Driven Approach
- 2023
- ACS Fall 2023