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ChemPlot, a Python library for chemical space visualization

Published • Oct 22, 2021
NobleIDNI5P24W73R33S76
Authors:
Murat Cihan Sorkun
,
Dajt Mullaj
,
J. M. V. A. Koelman

Abstract

Visualizing chemical spaces streamlines the analysis of molecular datasets by reducing the information to human perception level, hence it forms an integral piece of molecular engineering, including chemical library design, high-throughput screening, diversity analysis, and outlier detection. We pre...

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