Additional file 2 of Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

Additional file 2 of Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

Additional file 2. Detailed CheckMol analysis.

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Bibliographische Detailangaben
Hauptverfasser: Leguy, Jules, Glavatskikh, Marta, Cauchy, Thomas, Da Mota, Benoit
Format: Dataset
Sprache:eng
Schlagworte:
Biochemistry
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Computational Biology
Ecology
Environmental Sciences not elsewhere classified
FOS: Biological sciences
FOS: Chemical sciences
FOS: Earth and related environmental sciences
Molecular Biology
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Beschreibung
Zusammenfassung:Additional file 2. Detailed CheckMol analysis.
DOI:10.6084/m9.figshare.16726690