Optimizing drug design by merging generative AI with a physics-based active learning framework.
将生成式人工智能与基于物理的主动学习框架相结合，优化药物设计
期刊:Communications Chemistry
影响因子:6.2
doi:10.1038/s42004-025-01635-7
Filella-Merce Isaac, Molina Alexis, DÃaz LucÃa, Orzechowski Marek, Berchiche Yamina A, Zhu Yang Ming, Vilalta-Mor Júlia, Malo Laura, Yekkirala Ajay S, Ray Soumya, Guallar Victor
