jose-manuel
/ potential_problem_canonical_tautomer.ipynb
Last active Mar 13, 2020
Potential roblem with a canonical tautomer
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jose-manuel
/ draw_murcko_scaffolds.ipynb
Created Feb 28, 2020
Draw Murcko Scaffolds Extraction as Reaction with Kekulized Molecules
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jose-manuel
/ maybe_bug_murcko_drawing.ipynb
Last active Aug 28, 2019
Possible inconsistency between smiles and drawing of a molecule after murcko scaffold extraction
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jose-manuel
/ pick_best_2d_rdkit.ipynb
Created Apr 11, 2019
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jose-manuel
/ gen_2d_rdkit.ipynb
Last active Apr 11, 2019
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