Phase diagram map of ferroelectric properties unlocked with AI in seconds

Researchers from the Hong Kong University of Science and Technology (HKUST) and Tongji University have developed FerroAI, a ...

Machine learning workflow enables faster, more reliable organic crystal structure prediction

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

Unit-free theorem pinpoints key variables for AI and physics models

Machine learning models are designed to take in data, to find patterns or relationships within those data, and to use what ...
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Enhancing molecular machine learning with quantum-chemical insight

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...
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insitro Partners with Lilly to Build First-in-Kind Machine Learning Models to Advance Small Molecule Drug Discovery

insitro, a pioneer in machine learning for drug discovery and development, today announced a new collaboration with Eli Lilly and Company (Lilly) to develop advanced machine learning models that can ...