This is a bigger ask, but I wonder if we could add blood-brain barrier permeability predictions to SCOPE. Ideally quantitative predictions, even if this is a farly binary property.
There is some data on OCHEM, but no generic models. There are a few qualitative predictors out there, e.g. http://lmmd.ecust.edu.cn/admetsar2. Perhaps you could have a look as well? A Python library would be neat too, if one exists.
This is a bigger ask, but I wonder if we could add blood-brain barrier permeability predictions to SCOPE. Ideally quantitative predictions, even if this is a farly binary property.
There is some data on OCHEM, but no generic models. There are a few qualitative predictors out there, e.g. http://lmmd.ecust.edu.cn/admetsar2. Perhaps you could have a look as well? A Python library would be neat too, if one exists.