This is a deprecated API.
OESystem::OEIterBase<OEChem::OEMolBase> * OEApplyChEMBL18SolubilityTransforms(OEChem::OEMolBase &input, int context, unsigned int minMMPThreshold=5)
Given an input molecule, apply transformations derived from solubility data obtained from the [ChEMBL18-2014] database. The context argument controls the amount of chemistry information that should be included for the transformation reaction, see OEMatchedPairContext. This function supports only the OEMatchedPairContext_Bond0 or OEMatchedPairContext_Bond2 context values. The minMMPThreshold argument will only apply transformations that meet or exceed the specified number of matched pairs. Use a minMMPThreshold value of 0 to apply all transformations regardless of the number of matched pairs associated with them.
This function does not perform any validation or filtering on the input molecule to be transformed. The caller is expected to perform validity and/or size checking to ensure sensible inputs are provided.
- OEApplyChEMBL24SolubilityTransforms function