@misc{indiciae45d76f93444a, title = {Structure-Kinetic Relationship for Drug Design Revealed by PLS Model with Retrosynthesis-Based Pre-trained Molecular Representation and Molecular Dynamics Simulation}, author = {Zhou, F. and Yin, S. and Xiao, Y. and Lin, Z. and Fu, W. and zhang, y.}, year = {2022}, doi = {10.1101/2022.11.28.518282}, url = {https://www.biorxiv.org/content/10.1101/2022.11.28.518282v1}, note = {Source identifier: 10.1101/2022.11.28.518282} }