Standartisation of names of properties

igor.tetko — Thu, 02 Apr 2009 13:00:59 +0000

On Mar 6, 2009, at 1:46 PM, Mojca Durjava wrote:

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The problem is, that we don't have any agreement how we will introduce data, each one of us can determine his/her own system. Maybe it would be better to have an agreement on which properties we will use (name, unite,...), otherwise the introduced data will be difficult to retrieve.
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The question is open to discussion.

My first remark:

1) The database will (later on) provide possibilities to AUTOMATICALLY convert units. Thus, introduce data using Units reported in the article.

2) This does not solve problem of standardization of names. First, we already have an explosion of them, e.g. 22 properties contain IC50.

LogIC50 PR
LogIC50 ERβ
LogIC50 ERα
IC50 mussel

etc.

In fact, all of them correspond to IC50, but are different with respect to the Targets (protein).

Another example is provided in the second topic (EC50 with different Species and administration routes). So, what are your suggestions? Would you like to have multiple properties, which also include in the name conditions, species, OR, should we have only few properties but with obligatory conditions?

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igor.tetko — Thu, 02 Apr 2009 12:08:11 +0000

On Apr 1, 2009, at 5:07 PM, Barun bhhatarai wrote:

Dear Igor,
Thanks a lot for your comments. I have finished introducing all the references needed for the file. In the excel file, I have put several endpoints LC50, LD50, TCLo etc in successive rows since they belong to the same compound, but the data are not available for all the endpoints and those cells are blank. While uploading the data:

1) Do i have to create separate worksheet for different endpoints or is there a way to upload them together from one sheet by putting 'dash' or something for blank cells [which can be replaced if data is found later].
- I got an error while uploading them together

2) While uploading the sheet i got the notice of This item is a duplicate of another item in the uploaded dataset!
Since i have same value for same endpoint but for two different animals or two different administratiom routes, thus i beleive i got this notice.
Few compounds are:
CASRN: 706-79-6 ; Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-
Rat Oral LD 50 = 280.0 mg/kg
Rabbit Oral LD 50 = 280.0 mg/kg
Gigiena i sanitariia 1965; 30 (11) 6-12

Mouse Oral and Mouse interperitoneal for
CASRN: 30184-89-5 ; 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-((2-hydroxyethyl)amino)-
Journal of medicinal chemistry 1970; 13 (6) 1215-1217

Overwriting the data might not be a good idea. What could be done or just ignore the notice.
Thanks a lot.

Sincerely
Barun

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Standartisation of names of properties

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