Discovery of novel SOS1 inhibitors using machine learning
Lihui Duo, Yi Chen, Qiupei Liu, Zhangyi Ma, Amin Farjudian, Wan Yong Ho, Sze Shin Low, Jianfeng Ren, Jonathan D. Hirst, Hua Qiang Xie, Bencan Tang · RSC Medicinal Chemistry · 2024
drug-likeness assessment suggested that the compound has moderately favorable drug-like properties and pharmacokinetic characteristics. Altogether, our findings strongly support that, characterized by the distinctive binding modes, the recognition of novel skeletons from the carboxylic acid series could be candidates for developing promising SOS1 inhibitors.