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 ...
IEEE

Multiphase Flow Modeling Using Process Knowledge Integrating Temporal Graph Convolution Network

Abstract: The accurate description of the flow characteristics for a multiphase pump is highly desirable but still intractable. A process knowledge integrated with temporal graph convolution network ...
C&EN

Supramolecular Interaction-Mediated Diffusion Enhancement for Facilitated Synthesis of the Pharmaceutically Active Ingredient Dantrolene and Its Analogues via Spiral Gas ...

State Key Laboratory of Environment-Friendly Energy Materials, School of Materials and Chemistry, Southwest University of Science and Technology, Mianyang 621010, China ...