Cover Picture: ChemPlot, a Python Library for Chemical Space Visualization (Chem. Methods 7/2022)

The Front Cover shows the ChemPlot‐visualized reduced chemical space of molecules enhanced with two‐dimensional illustrations of molecules. In addition to being easy‐to‐use, free and open source, a noteworthy feature of ChemPlot is the application of tailored similarity for the property‐sensitive vi...

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Veröffentlicht in:Chemistry - Methods 2022-07, Vol.2 (7), p.n/a
Hauptverfasser: Cihan Sorkun, Murat, Mullaj, Dajt, Koelman, J. M. Vianney A., Er, Süleyman
Format: Artikel
Sprache:eng
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Zusammenfassung:The Front Cover shows the ChemPlot‐visualized reduced chemical space of molecules enhanced with two‐dimensional illustrations of molecules. In addition to being easy‐to‐use, free and open source, a noteworthy feature of ChemPlot is the application of tailored similarity for the property‐sensitive visualization of chemical spaces. ChemPlot streamlines the analysis of molecular datasets by reducing the information to human perception level, tackling the activity/property cliff problem, and facilitating the assessment of the applicability domain of machine learning models in molecular studies. More information can be found in the Research Article by Murat C. Sorkun et al.
ISSN:2628-9725
2628-9725
DOI:10.1002/cmtd.202200039