Hi All, I am fetching compounds SDF from pubchem through the public API: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/108-88-3/SDF Unfortunately the file returned has the atmos explicited. ![explicit hydrogens][1] Do …

Dear all, My lab has recently screened a library of compounds. The compounds are meant to represent chemical diversity across chemical space. We would like …

Hi, I plan to use some functions from [**metaboAnalyst**][1], such as, pathway enrichment, but I want to check if their internal KEGG pathways database is …

I want to download fingerprint of pubchem compound with CID I used the Pubchem api: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/42628049/property/Fingerprint2D/xml but I have a huge list that I need …

Hi All, I want to download the SDF file data for a list of pubchem compounds. I have SID, CID information of all of the …

I've been scouring a few open access DBs with Rest APIs and downloadable data, and I was wondering if anyone could point me to other …

I have list of compounds around 500 i need to download those compounds from pub chem database.How to download using command line prompt for Linux? …

How to download list of compounds from pubchem database using command line perl?

<p>Hi All, I am trying to generate a list of naturally occurring compounds/metabolites of eukaryotes. What I am trying to do is to prune <a …

<p>Hi all, </p> <p>I want to incorporate pathway search into my routine program for network analysis. As a starting point, I want to use the …