Re: [Rdkit-discuss] Getting the list of descriptors
Open-Source Cheminformatics and Machine Learning
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From: Noel O'B. <bao...@gm...> - 2011-03-31 21:39:20
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I notice that _descList is missing at least the molecular formula and molecular weight. What I'm really looking for is a replacement for descDict in the original AvailDescriptors module. - Noel On 31 March 2011 18:28, Noel O'Boyle <bao...@gm...> wrote: > Hi Greg, > > With the deprecation of the AvailDescriptors module, it seems that the > only way to get the list of descriptors is: > len(Descriptors._descList) > > I don't like accessing hidden attributes; is there some better way to do this? > > - Noel > |