Abstract As a critical step in drug discovery, molecule optimization aims to improve specific properties of lead compounds. Inspired by isosteres (i.e. molecular substructures with similar reactive electron shells), existing AI-based methods have been proposed for molecule optimization. However, they often rely on avai...
Zhen-Yi Wu, Peng-Cheng Zhao, Jia-Ning Li et al.· Briefings in Bioinformatics· 0 citations
The tumor microenvironment (TME) is a complex and dynamic system composed of immune cells, stromal cells, and extracellular matrix (ECM), whose composition and spatial architecture critically influence tumor initiation, progression, invasion, metastasis, and response to immunotherapy. However, traditional research mode...
Yehua Li, Jiale Shi, Qin Zhang et al.· Tissue engineering. Part B,...· 0 citations
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