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ADME/T on the Fly: Osiris as a SAR Sandbox?

Wouldn't it be great if...? A new look at old software applied in new ways toward old challenges

Go to the profile of Gerald Lushington
Jun 05, 2015
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2 Comments

Go to the profile of Jürgen Bajorath
Jürgen Bajorath almost 3 years ago

A very thoughtful and beautifully written contribution.
NSGs and other SAR network representations are descriptive in nature, as pointed out, and do not suggest compounds to make. Another graphical SAR analysis tool originating from our lab was designed to provide virtual candidate compounds in SAR regions of interest and enable activity prediction.
http://f1000research.com/articles/3-113/v2
http://f1000research.com/articles/4-75/v2

Go to the profile of Gerald Lushington
Gerald Lushington almost 3 years ago

Wonderful! At first glance this appears to be a very helpful formalism for intuitively visualizing trends. I will have to explore this further!