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Library profiling: Virtual screening, clustering & molecular descriptors
 Moderators: mvargyas, gimre@chemaxon.com, lantal, dszisz@chemaxon.com
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No new posts LibraryMCS usage
1 wangyuh 11347 Tue Apr 25, 2006 5:34 pm
mvargyas View latest post
No new posts generatemd parameters needed
5 dbarker 20773 Wed Mar 22, 2006 11:34 am
mvargyas View latest post
No new posts Jarp clustering & false singletons
5 ismail.ijjaali 17148 Fri Mar 17, 2006 3:51 pm
mvargyas View latest post
No new posts Method "isSimilarTo" in chemaxon.struc.CGraph
3 Ruud.van.Deursen 13684 Tue Mar 14, 2006 10:58 am
cspeter View latest post
No new posts searching a smile using PMapper
5 vberenz 17383 Thu Mar 02, 2006 5:59 pm
Nora View latest post
No new posts several maximal common substructures
3 vzernov 15844 Mon Feb 20, 2006 6:37 pm
mvargyas View latest post
No new posts Jarp - Optimizing parameters
1 ismail.ijjaali 14963 Wed Dec 21, 2005 7:07 pm
mvargyas View latest post
No new posts Ward clustering - Kelly method
5 ismail.ijjaali 16809 Wed Dec 07, 2005 1:51 pm
szdorant View latest post
No new posts Ward NullPointerException
14 peter.maas 21399 Thu Dec 01, 2005 11:16 pm
avolford View latest post
No new posts Scaffold generation
1 ismail.ijjaali 13860 Wed Nov 30, 2005 12:42 pm
mvargyas View latest post
No new posts java.lang.ArrayIndexOutOfBoundsException error
1 guillemp 20705 Tue Sep 27, 2005 4:34 pm
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No new posts Distance betwenn molecules in libMCS
3 samuel.wieczorek 13925 Thu Sep 22, 2005 12:52 pm
mvargyas View latest post
No new posts generfp doesn't accept Smiles that begin with a dot (.)
1 guillemp 12682 Tue Sep 20, 2005 3:43 pm
mvargyas View latest post
No new posts can't set up higher memory amount for generatemd
2 guillemp 13091 Tue Sep 20, 2005 12:47 pm
mvargyas View latest post
No new posts Regarding libmcs
11 nsrao_jnu 21007 Mon Sep 19, 2005 9:24 am
mvargyas View latest post
No new posts Dendrogram guidance using matlab
1 nishantxl 18399 Mon Sep 19, 2005 8:58 am
mvargyas View latest post
No new posts error while running libmcs
2 nsrao_jnu 13029 Tue Sep 13, 2005 5:56 am
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No new posts Optimizing generateMD parameters
1 ismail.ijjaali 12538 Thu Sep 01, 2005 3:36 pm
mvargyas View latest post
No new posts BCUT XML files
3 peter.maas 13593 Thu Sep 01, 2005 3:30 pm
mvargyas View latest post
No new posts similarity Threshold
8 renjutj 18635 Thu Aug 18, 2005 6:18 pm
dchen View latest post
No new posts LibraryMCS -m (resolved)
3 mtrunyan 14129 Wed Aug 10, 2005 10:39 pm
fcsiz View latest post
No new posts Input file for Jarp
16 anis.karimpour-fard 23866 Wed Aug 10, 2005 5:32 pm
fcsiz View latest post
No new posts prepend smiles to output
1 mpustelnik 13201 Mon Jul 11, 2005 3:45 pm
mvargyas View latest post
No new posts How to generate fingerprints in Java
5 mvargyas 22248 Wed Jun 22, 2005 4:56 pm
mvargyas View latest post
No new posts librarymcs/hierarchical clustering
5 artmorales 14100 Tue May 31, 2005 5:42 pm
nsrao_jnu View latest post
No new posts Range for a fingerprint value ?
1 alistair.sedwell 11863 Thu May 12, 2005 10:06 pm
mvargyas View latest post
No new posts How do i generate the chemical fingerprint for a SMILES ?
2 alistair.sedwell 12710 Wed May 04, 2005 5:28 pm
asedwell View latest post
No new posts Custom Metrics
7 florian.pitschi 16258 Thu Mar 10, 2005 3:42 pm
mvargyas View latest post
No new posts Special flags
2 fanny.bonachera 11489 Wed Feb 23, 2005 12:33 pm
fbonachera View latest post
No new posts more than three levels on Libmcs?
5 artmorales 12950 Mon Feb 14, 2005 5:22 pm
mvargyas View latest post
No new posts Similarity Calculation roblem
2 gcerruela1 12302 Mon Feb 07, 2005 11:39 am
mvargyas View latest post
No new posts Tanimoto index
1 gcerruela 14023 Fri Feb 04, 2005 3:12 pm
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No new posts Pmapper and charges
1 fbonachera 9826 Tue Feb 01, 2005 6:05 pm
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No new posts libmcs
1 dbarker 9589 Mon Dec 13, 2004 5:34 pm
mvargyas View latest post
No new posts Library diversity
3 mvargyas 11450 Thu Nov 04, 2004 1:52 pm
mvargyas View latest post
No new posts Different SMART Definitions?
5 florian.pitschi 16662 Thu Sep 16, 2004 2:00 pm
mvargyas View latest post
No new posts Custom Metric (2)
1 florian.pitschi 9891 Tue Sep 14, 2004 12:33 pm
mvargyas View latest post
No new posts Count Bits set in a Custom Fingerprint table
1 florian.pitschi 10376 Thu Sep 09, 2004 12:28 pm
mvargyas View latest post
No new posts pharmacophore fingerprint string format
1 mvargyas 10775 Fri Jun 04, 2004 12:54 pm
mvargyas View latest post
No new posts pharmacophore of the molecule
1 mvargyas 11324 Fri Jun 04, 2004 12:29 pm
mvargyas View latest post
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