ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability prediction. - Dong Wang; Jieyu Jin; Guqin Shi; Jingxiao Bao; Zheng Wang 027; Shimeng Li; Peichen Pan; Dan Li 013; Yu Kang 002; Tingjun Hou (J. Cheminformatics, 2025)

Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templates. - Xiaodan Yin; Xiaorui Wang; Zhenxing Wu; Qin Li; Yu Kang 002; Yafeng Deng; Pei Luo; Huanxiang Liu; Guqin Shi; Zheng Wang 027; Xiaojun Yao; Chang-Yu Hsieh; et al. (J. Cheminformatics, 2025)