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Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal.
J Comput Aided Mol Des
; 36(7): 483-505, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-35716228
2.
Machine Learning Data Augmentation as a Tool to Enhance Quantitative Composition-Activity Relationships of Complex Mixtures. A New Application to Dissect the Role of Main Chemical Components in Bioactive Essential Oils.
Molecules
; 26(20)2021 Oct 17.
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en Inglés
| MEDLINE | ID: mdl-34684861
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