Showing posts with label molecules. Show all posts
Showing posts with label molecules. Show all posts

Wednesday, October 21, 2015

ViTAL Lite : An app for computational genotoxicity alerts

Computational toxicity assessment is a mandatory regulatory requirement for pharma industry. A number of companies provide these services to pharma companies. ViTAL (http://www.vlifesciences.com/products/ViTAL/Product_ViTAL.php) is one of the industries most comprehensive, regulatory compliant reporting service offered by VLife Sciences (a division of Novalead Pharma Pvt. Ltd.).

If however, you are looking for a quick way to check computational toxicity alerts for molecules, VLife Sciences has introduced an Android app for the same. Check out the app at: https://play.google.com/store/apps/details?id=com.vlife.vitalite

PS: The ViTAL service, provides a more comprehensive regulatory compliant report (literature survey, multiple updated toxicity models etc.), where as the ViTAL Lite app provides a simple alert indicating probability of the molecule being genotoxic and/or carcinogenic.

PPS: I work for VLife Science.

Sunday, February 19, 2012

Some fun with TouchDevelop and MeTA Studio: scan molecules ;)

Ok so I had some more fun with TouchDevelop. This time a bit serious one ;)

I have been writing a script on my Nokia Lumia using TouchDevelop that allows one to scan a molecule drawing (either using a camera or pre-stored image) and then obtain approximate 2D coordinates with some basic on-device editing. The coordinates can then be emailed to yourself (or ur friends). So now, this script is kind of usable, at least for simple molecule drawings. The script (called omr, fancy optical molecule recognition :) ) can be accessed from: https://www.touchdevelop.com/wdlx. Of course you will need a WP7 device to use this script.

The coordinates obtained can be directly imported in MeTA Studio by using the widget available here: http://code.google.com/p/metastudio/source/browse/trunk/metastudio/widgets/showMoleculeCoord.bsh
Once in MeTA Studio, you know what all can be done :)

[Disclaimer: The script is purely non-commercial, and comes with no support what-so-ever ;)]

Have fun!