Rocío Mercado
Key Publications
1) Mercado, R., Rastemo, T., Lindelöf, E., Klambauer, G., Engkvist, O., Chen, H., & Bjerrum, E. J. (2021). Graph networks for molecular design. Machine Learning: Science and Technology, 2(2), 025023. 10.1088/2632-2153/abcf91
2) Mercado, R., Kearnes, S. M., & Coley, C. W. (2023). Data sharing in chemistry: lessons learned and a case for mandating structured reaction data. Journal of Chemical Information and Modeling, 63(14), 4253-4265. https://doi.org/10.1021/acs.jcim.3c00607
3) Dunlop, N., Erazo, F., Jalalypour, F., & Mercado, R. (2025). Predicting PROTAC-Mediated Ternary Complexes with AlphaFold3 and Boltz-1. https://doi.org/10.26434/chemrxiv-2025-gfd6c-v2