User dd927d9978
25-11-2004 14:52:02
For my "Diplomarbeit" (german master thesis), I implemented my own fingerprints and also tested new similarity metrics, in order to improve screening results for chemical groups.
I hope it is easier for everybody who wants to to implement his/her own fingerprints and work with them if he/she can use my fingerprint classes as an example.
The fingerprints and metrics have been "tested" (worked) with a mysql DB (containing imported Beilstein DB molecules), tomcat apache server and the example JSP in /jchem/examples/jsp1_x/setup.jsp .
Three classes have to be implemented.
Thanks again for the support!
I hope it is easier for everybody who wants to to implement his/her own fingerprints and work with them if he/she can use my fingerprint classes as an example.
The fingerprints and metrics have been "tested" (worked) with a mysql DB (containing imported Beilstein DB molecules), tomcat apache server and the example JSP in /jchem/examples/jsp1_x/setup.jsp .
Three classes have to be implemented.
Thanks again for the support!