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/>