Thanks, Paolo. Yes, I will also cite other two.
Best, Ming On Fri, Apr 9, 2021 at 10:59 AM Paolo Tosco <paolo.tosco.m...@gmail.com> wrote: > 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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