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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 Molecular descriptors metadata
2 lenny 6931 Tue Aug 28, 2007 8:24 am
wepawetmose View latest post
No new posts crview -d "list_of_similar_objects" ...
0 omarhaq 5341 Mon Aug 27, 2007 11:20 pm
ohaq595 View latest post
No new posts What does the flag -r do in a compr-run
1 m.kossner 5749 Wed Aug 22, 2007 3:48 pm
mvargyas View latest post
No new posts Request: LibMCS start or run button
4 tkind 6890 Fri Aug 17, 2007 9:38 pm
TobiasKind View latest post
No new posts Neighborlist.txt in ward & Jarp
1 aswathysgp 5907 Fri Aug 17, 2007 2:37 pm
mvargyas View latest post
No new posts ScreenMd-threshold
5 jijibio 9488 Thu Aug 16, 2007 9:01 am
mvargyas View latest post
No new posts LibMCS , Jarp & Ward?
5 aswathysgp 7678 Fri Aug 03, 2007 6:54 am
achuz View latest post
No new posts generatemd java.lang.NullPointerException
6 thibault.varin2 8235 Mon Jul 30, 2007 1:14 pm
mvargyas View latest post
No new posts Compr ... for all the descritptors
1 aswathysgp 5925 Mon Jul 30, 2007 8:51 am
mvargyas View latest post
No new posts LIBMCS 05 crash on some NCI smiles
2 tkind 6967 Thu Jul 26, 2007 12:53 pm
mvargyas View latest post
No new posts How to retrieve molecules of a specific dissimilarity range?
2 m.kossner 5858 Thu Jul 26, 2007 12:31 pm
mvargyas View latest post
No new posts how to run compr with floatin point descriptors from cxcalc
4 m.kossner 6980 Thu Jul 26, 2007 10:13 am
mvargyas View latest post
No new posts libmcs 5.0 clusters aromatics and aliphatics together.
3 tkind 8761 Sun Jul 22, 2007 8:03 am
TobiasKind View latest post
No new posts LibMCS 0.5 - Sorting smiles gives different cluster numbers?
6 tkind 9593 Sun Jul 22, 2007 7:54 am
TobiasKind View latest post
No new posts Reverse Similarity search
3 m.kossner 6526 Sat Jul 14, 2007 9:53 pm
Szabolcs View latest post
No new posts Library MCS save sequence problem
4 akatona 3534 Fri Jul 06, 2007 5:11 pm
akatona View latest post
No new posts Types of molecular Descriptors
1 aswathysgp 7932 Wed Jun 06, 2007 2:40 pm
mvargyas View latest post
No new posts ScreenMD --Dissimilarity metrics
3 jijibio 7677 Fri May 18, 2007 3:04 pm
mvargyas View latest post
No new posts Pmapper --pharmcophore recognition..
1 jijibio 6583 Tue May 15, 2007 3:06 pm
mvargyas View latest post
No new posts Library MCS: ArrayIndexOutofBounds Exception
4 zebjehan 10465 Fri Apr 27, 2007 3:59 pm
mvargyas View latest post
No new posts generatemd question
5 lixxx667 8690 Fri Apr 27, 2007 10:26 am
mvargyas View latest post
No new posts How to get the XML configuration editor?
2 592egg 7546 Thu Apr 19, 2007 7:39 am
mvargyas View latest post
No new posts BCUT Descriptors
3 wwlwong 11814 Wed Mar 28, 2007 1:24 pm
mvargyas View latest post
No new posts LibraryMCS (JChem 3.2.4)
5 ismail_ijjaali 8858 Mon Mar 26, 2007 3:41 pm
ijjaali View latest post
No new posts Chemaxon Bcut Descriptors for NCI & L2 Discrepancy Analy
2 faysal.el.khettabi 7338 Fri Mar 23, 2007 3:37 pm
efaysal View latest post
No new posts Bcut Descriptors: (char, pol, H-bon ,Disp)
3 faysal.el.khettabi 7492 Tue Mar 20, 2007 9:51 am
mvargyas View latest post
No new posts Problem in running optimizemetrics.
8 jijibio 9956 Wed Mar 14, 2007 4:14 pm
mvargyas View latest post
No new posts Abt database connection
1 jijibio 6222 Wed Mar 14, 2007 10:13 am
mvargyas View latest post
No new posts optimize screening
1 zsolt.bikadi 9516 Wed Jan 24, 2007 3:47 pm
mvargyas View latest post
No new posts Binary fingerprint & Ward clustering with Kelley index
9 zahoo_linux 13670 Mon Jan 22, 2007 12:44 pm
mvargyas View latest post
No new posts Balaban analyzer failed on 27 molecules out of 5,000,000
1 tkind 8389 Fri Jan 19, 2007 6:28 pm
pirok View latest post
No new posts Screenmd custom descriptors
9 peter.maas 19796 Thu Dec 21, 2006 9:08 am
mvargyas View latest post
No new posts problems with generatemd ward and libmcs
1 kalid 9025 Tue Dec 12, 2006 11:16 am
mvargyas View latest post
No new posts Statistics with JCHEM DBs and descriptors for QSPR/QSAR
5 tkind 13056 Wed Dec 06, 2006 3:23 pm
tdudgeon View latest post
No new posts Pharmacophore fingerprint
5 thibault.varin2 13992 Wed Dec 06, 2006 12:48 pm
mvargyas View latest post
No new posts GenerateMD killer molecule (boran hairnet)
2 tkind 9898 Mon Nov 27, 2006 10:54 am
TobiasKind View latest post
No new posts Ward clustering method
1 thibault.varin2 11353 Thu Nov 23, 2006 11:46 am
mvargyas View latest post
No new posts 3D constraints in pharmacophore
2 mvargyas 14912 Wed Nov 08, 2006 2:50 pm
Varin View latest post
No new posts Problem with Screen software
1 malkovic77 3114 Wed Nov 08, 2006 9:25 am
mvargyas View latest post
No new posts maccs keys
3 renjutj 15117 Thu Sep 21, 2006 5:20 pm
mvargyas View latest post
No new posts problem with placing the license keys for pmapper screenmd
3 raghuvir 10711 Thu Aug 31, 2006 2:27 pm
mvargyas View latest post
No new posts dearomatization when ambiguous H in aromatic ring
6 vberenz 17153 Tue Aug 01, 2006 1:13 pm
pirok View latest post
No new posts Test Case #2 - optimizing generatemd and jarp parameters
5 nicolas.saettel 11945 Wed Jul 12, 2006 8:47 am
saettel View latest post
No new posts identical fingerprints for different molecules
1 gareth.2.williams 9463 Tue Jul 11, 2006 9:31 pm
mvargyas View latest post
No new posts Test case - Optimizing generatemd parameters
4 nicolas.saettel 15045 Tue Jul 11, 2006 10:58 am
mvargyas View latest post
No new posts generatemd -I option
4 nicolas.saettel 11003 Fri Jul 07, 2006 3:53 pm
saettel View latest post
No new posts chemical fingerprints
4 gareth.2.williams 12907 Fri Jul 07, 2006 2:05 pm
mvargyas View latest post
No new posts atom typing
13 nwale 21831 Thu Jun 29, 2006 1:59 pm
mvargyas View latest post
No new posts LibMCS stable release?
1 saci 9883 Wed Jun 21, 2006 1:12 pm
Szabolcs View latest post
No new posts Chemical Fingerprints
5 Ruud.van.Deursen 13245 Tue May 02, 2006 3:22 pm
mvargyas View latest post
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