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We found that expert-designed physico-chemical property descriptors are more fitting for a limited sample size permeabilty study than deep learning based representations.
| Subjects: | Machine Learning (cs.LG) |
| Cite as: | arXiv:2605.00508 [cs.LG] |
| (or arXiv:2605.00508v1 [cs.LG] for this version) | |
| https://doi.org/10.48550/arXiv.2605.00508 arXiv-issued DOI via DataCite (pending registration) |
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| Related DOI: | https://doi.org/10.1021/acs.jcim.5c02931
DOI(s) linking to related resources |
From: András Formanek [view email]
[v1]
Fri, 1 May 2026 08:34:54 UTC (3,951 KB)
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