Figure 4

Comparison of the physicochemical properties of IMPPAT phytochemicals with other small molecule collections. (a) Box plot shows the distribution of the stereochemical complexity of the small molecule collections CC, DC’, NP, IMPPAT phytochemicals and TCM-Mesh phytochemicals. The median, mean and standard deviation (SD) of the stereochemical complexity for each small molecule collection is shown below the box plot. (b) Box plot shows the distribution of the Fsp³ for the small molecule collections CC, DC’, NP, IMPPAT phytochemicals and TCM-Mesh phytochemicals. The median, mean and SD of the Fsp³ for each small molecule collection is shown below the box plot. Note the lower end of the box shows the first quartile, upper end of the box shows the third quartile, brown line shows the median and green line shows the mean of the distribution of stereochemical complexity or Fsp³ in the two box plots. (c) Median, mean and SD of six physicochemical properties, namely, molecular weight, logP, TPSA, number of hydrogen bond donors, number of hydrogen bond acceptors and number of rotatable bonds for the small molecule collections CC, DC’, NP, IMPPAT phytochemicals and TCM-Mesh phytochemicals.