@misc{indiciae9a2002f3fdb5, title = {Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery}, author = {Seal, S. and Zalte, A. S. and Araripe, D. A. and Gomes, R. A. and Korani, D. and Shekhar, M. and Siramshetty, V. B. and Patra, A. and Mou, Z. and Yu, X. and Kuhn, D. and Weskamp, N. and Ash, J. and Cheng, A. C. and Fang, C. and Price, D. and Aldeghi, M. and Rodriguez-Perez, R. and Clevert, D.-A. and Engkvist, O. and Deibler, K. and Rouquie, D. and Reutlinger, M. and Richmond, N. J. and Ainsley, J. and Ledeboer, M. and Green, W. H. and Bender, A. and Wognum, C.}, year = {2026}, doi = {10.64898/2026.08.19.745868}, url = {https://www.biorxiv.org/content/10.64898/2026.08.19.745868v1}, note = {Source identifier: 10.64898/2026.08.19.745868} }