Machine learning-based virtual screening of multi-target anti-obesity compounds from medicinal and edible plants: A combined in silico and in vitro study

X Zhou, J Ni, W Ge, X Wang, Y Li, H Wang, C Ma - Food Bioscience, 2024 - Elsevier
In response to the limited effectiveness of existing weight loss food products, we sought to
apply machine learning-based virtual screening methods to identify potential anti-obesity …

Artificial Intelligence Generative Chemistry Design of Target-Specific Scaffold-Focused Small Molecule Drug Libraries

Y Bian, G Hou, XQ Xie - The Quintessence of Basic and Clinical Research …, 2023 - Springer
The de novo design of scaffold-focused and target-specific molecular structures using deep
learning generative modeling introduces a promising solution to the discovery of novel and …