Application of Artificial Intelligence(AI) in Antimicrobial Drug Screening (IMAGE)

FAR Publishing Limited

Application of Artificial Intelligence(AI) in Antimicrobial Drug Screening

Caption

This figure illustrates three key applications of AI in antimicrobial drug development: (1) target identification and validation, including novel target discovery, affinity prediction, multi-target synergistic intervention, and drug repurposing; (2) hit molecule design, incorporating virtual screening(VS), high-throughput screening, and de novo molecular design techniques; (3) lead compound optimization, focusing on optimization of target spatial structures and enhancement of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties.

Credit

Kexin Li, Quan Yuan, Chang Qi, Ying Shi, Hong Yang, Anqi Lin, Shuofeng Yuan

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