EurekAlert!

Using LoRA models to predict multiple types of organic reactions

Figure 1. LoRA-Chem: From Model Customization to Organic Chemistry Reaction Tasks. (a) Several machine learning algorithm paradigms applied to organic chemistry. (b) Inspired by AI-driven image style ...
Purdue University

One-step multicomponent reaction with interpretable machine learning innovation to develop chemical library for drug discovery

WEST LAFAYETTE, Ind. – Machine learning has been used widely in the chemical sciences for drug design and other processes. The models that are prospectively tested for new reaction outcomes and used ...