As far as I remember, the ID exchange service can take up to 500,000 CIDs as inputs, but this limit is tightened to 50,000 CIDs if you download images of compounds. If you download more information per compound, you may get a time-out error even if the number of input CIDs does not exceed the limit of ID exchange service.
So, it is recommended to chunk your input list into small pieces and make multiple service requests. If you have much more input CIDs than you can handle in this way, you should download the data from the PubChem ftp site (ftp://ftp.ncbi.nlm.nih.gov/pubchem/).
Can somebody explain me about Congreve’s rule of 3? The link " <a href="http://dx.doi.org/10.1016/S1359-6446">http://dx.doi.org/10.1016/S1359-6446</a>(03)02831-9) " given in the question is not accessible for me. So, if somebody has that paper, can you please provide me?
Thank you
I asked last week about Tanimoto equation and hychem95 helped me to understand that equation and sent me this link. <a href="http://jcheminf.springeropen.com/articles/10.1186/s13321-015-0070-x">http://jcheminf.springeropen.com/articles/10.1186/s13321-015-0070-x</a>
You can download this paper from this link and if You want to view the question and answer, use this link. <a href="https://goo.gl/LJtmV4">https://goo.gl/LJtmV4</a>
After completing part 4C of the assignment, I noticed that it was mentioned in the question about it being difficult to perform this step if the list of chemicals was several hundred or more. What would be a suggested method to perform this step through automation if say 10,000 chemicals needed to have the duplicates extracted for comparison?
Andrew
HI ALL, initially i asked a question on toxnet databases and i thank hychem 95 for his or her answer .in case you want to know more on the TOXNET databases just use <a href="https://goo.gl/4Joj5A">https://goo.gl/4Joj5A</a> (nwume)
HI ALL, initially i asked a question on toxnet databases and i thank hychem 95 for his or her answer .in case you want to know more on the TOXNET databases just use <a href="https://goo.gl/4Joj5A">https://goo.gl/4Joj5A</a> (nwume)
i asked a question before about the meaning of CASRN but i was not answered but i figured it out myself that A CAS Registry Number,also referred to as CASRN or CAS Number, is a unique numerical identifier assigned by Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature (currently including those described from at least 1957 through the present), including organic and inorganic compounds, minerals, isotopes, alloys and nonstructurable materials (UVCBs, of unknown, variable composition, or biological origin). you can also read more on it using this link( <a href="https://goo.gl/P5G3jm">https://goo.gl/P5G3jm</a>) (nwume)
Many databases have citation guidelines at their website. These guidelines are usually found on the "Publications", "Help", "FAQ", or "Citations" page. In the case of ChEMBL, you can find its citation guideline at this URL:
Joining the Project
The paper has been uploaded.
Split the input into smaller chunks or use FTP
As far as I remember, the ID exchange service can take up to 500,000 CIDs as inputs, but this limit is tightened to 50,000 CIDs if you download images of compounds. If you download more information per compound, you may get a time-out error even if the number of input CIDs does not exceed the limit of ID exchange service.
So, it is recommended to chunk your input list into small pieces and make multiple service requests. If you have much more input CIDs than you can handle in this way, you should download the data from the PubChem ftp site (ftp://ftp.ncbi.nlm.nih.gov/pubchem/).
Can somebody explain me about
Tanimoto equation
Identifier Exchange Service
TOXNET
TOXNET
answer
Many databases have citation guidelines.
Many databases have citation guidelines at their website. These guidelines are usually found on the "Publications", "Help", "FAQ", or "Citations" page. In the case of ChEMBL, you can find its citation guideline at this URL:
https://www.ebi.ac.uk/chembl/faq#faq43