MOESM2 of Dataset’s chemical diversity limits the generalizability of machine learning predictions

MOESM2 of Dataset’s chemical diversity limits the generalizability of machine learning predictions

Additional file 2. Functional groups analysis. Complete table of all encountered functional groups in PC9 and QM9.

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Bibliographische Detailangaben
Hauptverfasser: Glavatskikh, Marta, Leguy, Jules, Hunault, Gilles, Cauchy, Thomas, Benoit Da Mota
Format: Dataset
Sprache:eng
Schlagworte:
Biochemistry
Biological Sciences not elsewhere classified
FOS: Biological sciences
Space Science
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Beschreibung
Zusammenfassung:Additional file 2. Functional groups analysis. Complete table of all encountered functional groups in PC9 and QM9.
DOI:10.6084/m9.figshare.10297142