Removing Substructure Matches and Returning Fragments in RDKit
Some cheminformatics hacking inspired by a reader
Recent posts
All Eyes on Bonn - Part 1
Looking forward (and back) on my work in Chemicals: focus on GHS
Reflections on Software Development post-PhD
What I was thinking vs. what I think now
Cheminformatics for Risk Assessment of Transformation Products
MCS Tanimoto Similarity, 6000+ Transformations, Antimicrobial Resistance and Ecological Risk Assessment
Leave Tweedle-Dum alone!
Deleting one substructure match at a time