Re: [Rdkit-discuss] What should be the citation reference for this rdMolAlign.GetCrippenO3A() in RDKit?

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 wrote: > Hello, > > Currently, I am using the method:

Re: [Rdkit-discuss] What should be the citation reference for this rdMolAlign.GetCrippenO3A() in RDKit?

Thanks, Paolo. Yes, I will also cite other two. Best, Ming On Fri, Apr 9, 2021 at 10:59 AM Paolo Tosco 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 >

[Rdkit-discuss] What should be the citation reference for this rdMolAlign.GetCrippenO3A() in RDKit?

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