using software to predict solubility of Caffine and Clotrimazole, which are the control used when acquiring experimental solubility.
Further literature study.
Find out whether the software are predicting kinetic solubility or thermodynamic solubility, and in buffer? or water? or Octanol/water?
Saying <50 uM is considered bad solubility, and any molecules with <50 uM experimental solubility needs to be triaged. Find out a cut-off value of cLogP that can be used for triaging molecules with highest prediction accuracy.
using software to predict solubility of Caffine and Clotrimazole, which are the control used when acquiring experimental solubility.
Further literature study.
Find out whether the software are predicting kinetic solubility or thermodynamic solubility, and in buffer? or water? or Octanol/water?
Saying <50 uM is considered bad solubility, and any molecules with <50 uM experimental solubility needs to be triaged. Find out a cut-off value of cLogP that can be used for triaging molecules with highest prediction accuracy.