CCL: comparing database results



 Sent to CCL by: "Aniko  Simon" [aniko-.-simbiosys.ca]
 Hi Iain,
 eHiTS LASSO (free for academic users) does exactly what you need,
 i.e. finds compounds that have similar activity as your existing hit-list.
 In fact, eHiTS LASSO is even better than a mere structural similarity search,
 because it focuses on the similarity of interaction points without requiring
 the same underlying structure, thus you have a better chance of finding novel
 scaffolds while preserving the important pharmaceutical activity.
 For more information on eHiTS LASSO, please visit:
 http://www.simbiosys.ca/ehits_lasso/
 Regards,
 Aniko
 Iain MacDougall iain.macdougallstudentmail.newcastle.edu.au wrote:
 > Sent to CCL by: "Iain  MacDougall"
 [iain.macdougall\a/studentmail.newcastle.edu.au]
 > I have two sets of compounds from in silico database searching. I have
 compared the compounds and have found that none are identical, however I wish to
 find similar hits as well. I can do this by eye for small numbers of hits but
 this will be impossible for some of my larger hitlists. Does anyone know of
 freeware that will do some kind of structural comparison/similarity searching
 for me?
 > Thanks for your help!>