A large extension of the modified UNIFAC model for IL–solute systems by combining hybrid activity coefficient databases

Authors: Gu, Ruofan, Chen, Jiahui, Cheng, Jie, Chen, Guzhong, Zhou, Teng, Qi, Zhiwen, Zhu, Yi-An, Song, Zhen

Source: In Separation and Purification Technology 1 March 2025 355 Part A

Graph transformer based transfer learning for aqueous pKa prediction of organic small molecules

Authors: Qiu, Yuxin, Chen, Jiahui, Xie, Kunchi, Gu, Ruofan, Qi, Zhiwen, Song, Zhen

Source: In Chemical Engineering Science 5 December 2024 300