The t-SMILES family of models has shown potential in generating highly novel molecules with 100% theoretical validity and improved performance on low-resource datasets. These…
Browsing: Molecules
This Special Issue focuses on the most recent advances in the models, algorithms, theories, and applications of Graph Machine Learning (GML), both in academic…
As countries look to fully utilize artificial intelligence (AI)’s potential and capabilities, they will need to look for upgrades to data storage and processing,…
Alán Aspuru-Guzik and his team are deploying an AI-driven system to sift out molecules for making lasers, batteries, eco-friendly plastics or life-saving drugs. This…