I’m curious to know whether anyone knows of how to locate the MCS of every cluster in a dataset, not just the most significant one.
Not my area of expertise, but take a look at this.
Thankkkkkkssss Gonna take a look on it
Only problem is that the input here is a list of molecule, whereas I am working with a database that was extract from CHEMBL.
Any idea how con I convert it from CHEMBL to MAE?
Sorry. Chemistry is not my field. Can’t help. Hopefully someone knowldegable can weigh in.
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