What are the best fingerprints to characterize molecules?
Posted by Camps, at mattermodeling.stackexchange.com,
When working with libraries of thousand of molecules or with de novo design (using combinatorial chemistry), it is usual to…
When working with libraries of thousand of molecules or with de novo design (using combinatorial chemistry), it is usual to…
I'm trying to use a method for evaluating similarity of molecules. I have seen many publications in the machine learning…