Login
From:
Is life worth living?
(Uncensored)
subscribe
New cheminformatics package for Molecular Alignment and 3D Similarity Scoring #cheminformatics #rdkit #memo – Is life worth living?
https://iwatobipen.wordpress.com/2024/08/08/new-cheminformatics-package-for-molecular-alignment-and-3d-similarity-scoring-cheminformatics-rdkit-memo/
links
backlinks
Tagged with:
python
diary
rdkit
chemoinformatics
lbdd
Shape based alignment approach is useful for LBDD which is not available for target protein structure. However there are few OSS to align molecules like OpenEye’s ROCS. Also GPU based tools a…
Roast topics
Find topics
Find it!
