CCL: DataBases

[Gerard Pujadas <gerard.pujadas=-=gmail.com>]

Dear Sofia,
 the Tradicional Chinese Medicine database <http://tcm.cmu.edu.tw/index.php>;
 can be of interest for you. Please, download going here
 <http://tcm.cmu.edu.tw/download.php?menuid=5>;.
 Check also:
 http://chimiotheque-nationale.cn.cnrs.fr/
 https://simtk.org/projects/sweetlead
 http://pkuxxj.pku.edu.cn/CVDHD/index.php
 http://pkuxxj.pku.edu.cn/UNPD/
 http://foodb.ca/
 https://sancdb.rubi.ru.ac.za/
 Hope this helps
 Best
 Gerard
 2016-05-10 17:00 GMT+02:00 Sofia Vasilakaki svasilak||chem.uoa.gr <
 owner-chemistry*_*ccl.net>:
 >
 > Sent to CCL by: "Sofia Vasilakaki" [svasilak]-[chem.uoa.gr]
 > Dear all,
 >
 > I would like to use a database of natural compounds from medicinal herbs
 > and plans in order to perform substructure search or virtual screening. I
 > have found some (super natural, gnps.ucsd.edu, nubbe.iq.unesp.br) but not
 > enough info about each compound and no mol2 files available for download.
 > I would appreciate it if you could share any links for similar databases.
 >
 > Also, could you suggest software tools like these in OpenEye and Maestro
 > packages, for performing calculations of structures properties (pKa, rule
 > of 5, ADME...)?
 >
 > Thank you!
 >
 > Kind Regards,
 > Sofia V.>
 >
 >
 --
 Gerard Pujadas (PubMed publication list
 <http://www.ncbi.nlm.nih.gov/pubmed?term=%28Pujadas%20G[Author]%29%20AND%20%28Rovira[Affiliation]%20OR%20Hungary[Affiliation]%20OR%20Tokyo[Affiliation]%29>
 )
 Cheminformatics & Nutrition Research Group
 <http://www.cheminformatics-nutrition.recerca.urv.cat/>;
 http://orcid.org/0000-0003-2598-8089
 Head of Biochemistry and Biotechnology Department
 <http://bioquimica.urv.cat>;
 phone +34 977 55 (9565) // skype account: gerard_pujadas
 Office 106, Building N4, Campus Sescelades
 Universitat Rovira i Virgili
 Tarragona, Catalonia