Table 1. Correlation coefficients between molecular descriptors, WBM and MBM pricesa.
P1b | P2c | MWd | ACe | SAS1f | |
---|---|---|---|---|---|
P1 | 1 | 0.857 | −0.033 | 0.171 | 0.341 |
P2 | 0.857 | 1 | 0.474 | 0.045 | 0.239 |
MW | −0.033 | 0.474 | 1 | −0.213 | −0.116 |
AC | 0.171 | 0.045 | −0.213 | 1 | 0.380 |
SAS1 | 0.341 | 0.239 | −0.116 | 0.380 | 1 |
aStatistical credibility tests indicate much lower correlation values (R = 0.000526) for the shuffled price values, compare Methods an supplementary materials for additional data.
bP1 - Price (WBM).
cP2 - Molar price (MBM).
dMW - molecular weight.
eAC - Atom count.
fSAS1 - synthetic accessibility score.