Nature

Structural optimization of drug molecules with incrementally trained language models

Automating structural optimization of drug molecules for on-target potency by machine learning is an open challenge in chemistry. Here, we capitalize on the ability of chemical language models (CLMs) ...
Nature

Structural optimization of framed automotive body-in-white using back propagation neural network optimized based on the sparrow search algorithm

Framed structures refer to the space frame structure formed mainly by shaped pipes at the joint 1. Recently, more and more body-in-white (BIW) of new energy vehicles are framed structures. This type ...