Question: Database for Chemical and Physical Properties of drugs or compounds
1
gravatar for Zhilong Jia
3.9 years ago by
Zhilong Jia1.4k
London
Zhilong Jia1.4k wrote:

Are there databases to query Chemical and Physical Properties of drugs or compounds with the input of drugs or compounds names? And then maybe do something like clustering? I'd want to check are there some common attributes for a list of drugs or compounds finally. Thank you.

ADD COMMENTlink modified 22 days ago by feovvs0 • written 3.9 years ago by Zhilong Jia1.4k

Depending on the properties you are looking for, there are various alternatives (PubChem, ChEMBL, ChemSpider, Drugbank). What properties are you particularly interested in?

ADD REPLYlink written 3.6 years ago by Egon Willighagen5.2k
1
gravatar for leonqli
21 months ago by
leonqli20
leonqli20 wrote:

All your need can be found in PubChem (https://pubchem.ncbi.nlm.nih.gov/)

ADD COMMENTlink written 21 months ago by leonqli20

Can you please extend your answer with the physchem properties this resource provides?

ADD REPLYlink written 20 months ago by Egon Willighagen5.2k
0
gravatar for mbiochem
3.9 years ago by
mbiochem0
Israel
mbiochem0 wrote:

Check Chemistry databases on page

http://www.science.co.il/Chemistry-Databases.asp


 

ADD COMMENTlink written 3.9 years ago by mbiochem0
0
gravatar for Egon Willighagen
20 months ago by
Maastricht
Egon Willighagen5.2k wrote:

The Wikidata chemistry community is adding more and more physchem properties for, now, something like 170 thousand compounds. Furthermore, it has many links out to other databases. The SQID interface provides a nice GUI, e.g. for acetic acid. Importantly, Wikidata has a strong reference system, ensuring that many properties values are linked to the (primary) data sources. In the SQID interface, notice the grey "arrows" in the top right next to the property.

ADD COMMENTlink written 20 months ago by Egon Willighagen5.2k
0
gravatar for feovvs
22 days ago by
feovvs0
feovvs0 wrote:

Some information I find on chemdb

https://chemdb.net/en/

ADD COMMENTlink written 22 days ago by feovvs0
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