Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...
When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer ...
Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...
Gibaldi and his colleagues have since analysed several open-access MOF databases commonly used for machine learning and found ...
The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds-those with high potency, selectivity, and favorable metabolic properties-at the earliest stages ...
Machine learning, a branch of artificial intelligence, allows a computer to teach itself how to solve problems by analyzing ...
Machine learning, a key enabler of artificial intelligence, is increasingly used for applications like self-driving cars, ...
A machine learning–driven web tool based on 13 standard patient metrics demonstrates strong predictive performance for MASLD, ...