Re: [Rdkit-discuss] neutralize charges
Open-Source Cheminformatics and Machine Learning
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From: Andrew D. <da...@da...> - 2012-10-15 10:31:28
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Hi Hans, On Oct 11, 2012, at 10:08 AM, Hans De Winter wrote: > We are doing this with a set of Smarts-based replacements. I can send you the Smarts but you will have to wait a couple of days as I cannot access them right now. Sure. Would it be okay if I put them in a form that can go into the contrib? Cheers, Andrew da...@da... |