Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery
- DOI
- 10.64898/2026.08.19.745868
- Published
- 2026-08-24
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- Open access
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Cite this work
BibTeX
@article{allodium:10.64898/2026.08.19.745868,
title = {Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery},
author = {Seal S and Zalte AS and Araripe DA and Gomes RA and Korani D and Shekhar M and Siramshetty VB and Patra A and Mou Z and Yu X and Kuhn D and Weskamp N and Ash J and Cheng AC and Fang C and Price D and Aldeghi M and Rodríguez-Pérez R and Clevert D and Engkvist O and Deibler K and Rouquie D and Reutlinger M and Richmond NJ and Ainsley J and Ledeboer M and Green WH and Bender A and Wognum C.},
year = {2026},
doi = {10.64898/2026.08.19.745868},
url = {https://doi.org/10.64898/2026.08.19.745868}
}RIS
TY - JOUR TI - Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery AU - Seal S AU - Zalte AS AU - Araripe DA AU - Gomes RA AU - Korani D AU - Shekhar M AU - Siramshetty VB AU - Patra A AU - Mou Z AU - Yu X AU - Kuhn D AU - Weskamp N AU - Ash J AU - Cheng AC AU - Fang C AU - Price D AU - Aldeghi M AU - Rodríguez-Pérez R AU - Clevert D AU - Engkvist O AU - Deibler K AU - Rouquie D AU - Reutlinger M AU - Richmond NJ AU - Ainsley J AU - Ledeboer M AU - Green WH AU - Bender A AU - Wognum C. PY - 2026 DO - 10.64898/2026.08.19.745868 UR - https://doi.org/10.64898/2026.08.19.745868 ER -
APA
S, S., AS, Z., DA, A., RA, G., D, K., M, S., VB, S., A, P., Z, M., X, Y., D, K., N, W., J, A., AC, C., C, F., D, P., M, A., R, R., D, C., O, E., K, D., D, R., M, R., NJ, R., J, A., M, L., WH, G., A, B., & C., W. (2026). Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery. https://doi.org/10.64898/2026.08.19.745868
Source records
- europe-pmc · retrieved 2026-09-25T19:56:39.973Z