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Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification

Applied datasets can vary from a few hundred to thousands of samples in typical quantitative structure-activity/property (QSAR/QSPR) relationships and classification. However, the size of the datasets and the train/test split ratios can greatly affect the outcome of the models, and thus the classifi...

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Detaylı Bibliyografya
Yayımlandı:Molecules
Asıl Yazarlar: Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: MDPI 2021
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC7922354/
https://ncbi.nlm.nih.gov/pubmed/33669834
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26041111
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