Structural complexity of small molecules is often challenging to quantify due to
the many ways complexity is manifest. One clear feature of complex natural
products is their complex ring systems. Several measures of ring complexity have
been previously suggested. calcRings.py calculates several of these ring
complexity metrics along with other useful molecular properties.
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Collection of cheminformatic tools for analyzing compounds generated by Complexity to Diversity method
HergenrotherLab/ctdTools
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Collection of cheminformatic tools for analyzing compounds generated by Complexity to Diversity method
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