A new Software Review about: eHiTS and LASSO
in the Chemistry World, Oct 2008 issue:
SimBioSys tools have been reviewed once again! Susan Boyd wrote a short review article about both eHiTS and LASSO in the October 2008 issue of “Chemistry World”, a monthly magazine from the Royal Society of Chemistry (RSC). Susan commented that:
“eHiTS is a bit different from most, in that it combines truly exhaustive, fast docking with a
rather neat scoring function, based on projected interaction surface points (ISPs)…These surface points should better represent the interactions…this has been supported by several reported validation tests (for more details see). This allows it to handle the more subtle interactions, such as those involving π-systems and metals….
LASSO is the ligand-based equivalent of eHiTS, using the interaction surface points as fuzzy 3D descriptors to identify similar compounds to the input query using a neural network algorithm…. Again the speed here is worthy of note…. 8 million compounds can be searched in only a couple of minutes”
You might be interested in reading the full review at this link (full PDF)
Posted by Aniko