Table 3.
Dependence of the predicted values for the aqueous toxicity of investigated chitooligosaccharides on their physicochemical properties: MW—molecular weight, logS—aqueous solubility, logP—partition coefficient, DaD—deacetylation degree.
Physicochemical Property/Deacetylation Degree | DaD = 0% | DaD = 100% | ||
---|---|---|---|---|
Equation | R2 | Equation | R2 | |
MW | IGC50 = −0.0002 MW + 1.099 | 0.985 | IGC50 = −0.0007 MW + 1.420 | 0.978 |
LC50FM = −0.0006 MW + 1.473 | 0.967 | LC50FM = −0.0004 MW + 1.602 | 0.936 | |
LC50DM = −0.0048 MW +2.188 | 0.997 | LC50DM = −0.0002 MW + 2.335 | 0.242 | |
logS | IGC50 = −1.040 logS + 0.350 | 0.978 | IGC50 = 0.348 logS + 1.700 | 0.833 |
LC50FM = −0.707 logS + 1.083 | 0.909 | LC50FM = −0.186 logS + 1.462 | 0.888 | |
LC50DM = −5.580 log S − 0.850 | 0.956 | LC50DM = −0.073 logS + 2.245 | 0.229 | |
logP | IGC50 = 0.43 logP + 1.640 | 0.994 | IGC50 = −0.181 logP + 1.347 | 0.887 |
LC50FM = 0.22 logP + 1.741 | 0.956 | LC50FM = 0.030 logP + 2.362 | 0.991 | |
LC50DM = 1.750 logP + 4.340 | 0.998 | LC50DM = 0.067 logP + 1.664 | 0.998 |