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Question about R-group occurences estimation [message #757] Tue, 21 January 2020 16:02 Go to previous message
jvolvr is currently offline  jvolvr
Messages: 1
Registered: January 2020
Location: Brazil
Junior Member
Is there a way to calculate the number of occurrences of a given group (e.g. hydroxyls, methyls) in my data set through the SMILES of my compounds?
 
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