Machine Learning-Based SERS Chemical Space for Two-Way Prediction of Structures and Spectra of Untrained Molecules - Jaslyn Ru Ting Chen; Emily Xi Tan; Jingxiang Tang; Shi Xuan Leong; Sean Kai Xun Hue; Chi Seng Pun; In Yee Phang; Xing Yi Ling (Journal of the American Chemical Society, 2025)