Hi MIng, that's correct, but you should also reference the RDKit and the Crippen-Wildman paper: *J. Chem. Inf. Comput. Sci.* 1999, 39, 5, 868–873 https://doi.org/10.1021/ci990307l
Cheers, p. On Fri, Apr 9, 2021 at 4:47 PM Ming Hao <haom.ni...@gmail.com> wrote: > Hello, > > Currently, I am using the method: rdMolAlign.*GetCrippenO3A**()* in RDKit > for comparing two 3D small molecule conformations. > > I want to know what is the proper citation for this method? > > Is this: Open3DALIGN: an open-source software aimed at unsupervised ligand > alignment > Paolo Tosco • Thomas Balle • Fereshteh Shiri > > Thanks, > Ming > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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