Hello,

Is about creating a database of validated structures or something like that??

Well.. There are some databases on experimentally validated compounds. I think it can be a great idea to generate complementary databases that contain computationally successful drug candidates. You can start it.

Hello Sir,

            This is naidu from BITS-HYD, I need your help for docking studies of my synthons. i appreciate for your open source thought.

Here, I am suggesting few links where you may find information on open source based CADD

http://crdd.osdd.net/ (Resources)

http://crdd.osdd.net/oscadd/ (models)

http://www.imtech.res.in/raghava/web.php (related servers)

http://www.osdd.net/ (Mega Project)

Thanks for the response.

@Danish: Its about creating a open-source data for the validated models (QSAR, QSPR, Pharmacophore Models) and datasets

@Giri: Thanks for sharing information about QSARDB. Its really useful information. It will be very useful, if they can start include other validated models (pharmacophore models (.chm), datasets (.sdf), and scripts, QSPR Models.

@Naidu: Please let me know, how can i help you.

@Dr. Gajendra: Thanks for sharing useful links.

Interesting question that you raise here Suneel. I believe you might be interested in QSAR-ML as it is a markup language (XML-based) that aims to make QSAR models open data and shareable. It does this by adding meta-data (experimental conditions, descriptors, bioactivity being predicted) that is relevant for the QSAR model being built.

An article about QSAR-ML is available from Ola Spjuth et al. in J. Cheminf.

http://www.jcheminf.com/content/2/1/5

Thanks also to Girinath for mentioning QSARDB (http://qsardb.org), the article from Villu Ruusmann et al. is also published in J. Cheminf.

http://www.jcheminf.com/content/6/1/25

Actually, two years ago I met both Ola and Villu (and Uko) in Uppsala, Sweden in a discussion similar to this. Both are aimed at QSAR open data. There are actually more:

Collaborative Drug Discovery (https://www.collaborativedrug.com), although provide an online service for housing chemical libraries, they also make available access to public data. But in order to see those data, you will need to register (for free):

https://www.collaborativedrug.com/pages/public_access

Hi Chanin Nantasenamat,

Thanks for your reply and sharing the information on open-source. Its very useful

Suneel