Comments on: How good are biological experiments? HERG binding data analysis http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/ The drug discovery company Mon, 06 Feb 2012 16:13:00 +0000 hourly 1 http://wordpress.org/?v=3.3.1 By: Quantum Pharmaceuticals http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/comment-page-1/#comment-4 Quantum Pharmaceuticals Fri, 11 Jan 2008 10:45:00 +0000 http://q-pharm.com/?p=16#comment-4 thank you, there are indeed quite a few cases when fingerprints identity does not tranlate into actual structural identity. We have cought the whole library of such cases with open babel when making http://leadfinding.com. <br/><br/>Thank you for your great bog as well! thank you, there are indeed quite a few cases when fingerprints identity does not tranlate into actual structural identity. We have cought the whole library of such cases with open babel when making http://leadfinding.com.

Thank you for your great bog as well!

]]> By: baoilleach http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/comment-page-1/#comment-3 baoilleach Thu, 20 Dec 2007 19:31:00 +0000 http://q-pharm.com/?p=16#comment-3 Great to see you using pybel. Just remember that identity in terms of fingerprint does not guarantee that it's the same molecule. You might also want to calculate the InChI and ensure they are the same. Great to see you using pybel. Just remember that identity in terms of fingerprint does not guarantee that it’s the same molecule. You might also want to calculate the InChI and ensure they are the same.

]]>