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Re: most ChemicalData molecule plots missing?

  • To: mathgroup at smc.vnet.net
  • Subject: [mg96249] Re: most ChemicalData molecule plots missing?
  • From: congruentialuminaire at yahoo.com
  • Date: Tue, 10 Feb 2009 05:51:03 -0500 (EST)
  • References: <gmndj7$s0k$1@smc.vnet.net>

Hello Mitch:

I am interested in this too. The number of missing plots is not evenly
distributed. I ran some quick sample statistics:

which molecules         %missing

first 100	         90
last 100	         97
900-1000	         70
2900-3000	         51
4900-5000	         68

I did this with:

partialCD = Take[Take[ChemicalData[], 1000], -100];
partialPlots = {#, ChemicalData[#, "MoleculePlot"]} & /@ partialCD;
(* how many are missing *)
Select[partialPlots, MatchQ[#[[2]], _Missing] &] // Length

HTH.

Roger Williams
Franklin Laboratory

On Feb 8, 11:59 am, Mitch Murphy <mi... at lemma.ca> wrote:
> i'm getting a lot of missing molecule plots for even the simplest and  
> most common molecules in ChemicalData[]...
> <snipped/>


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