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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 Potential LibraryMCS API bug?
4 panhuysen 4812 Mon Feb 01, 2010 11:50 am
mvargyas View latest post
No new posts Conformational clustering
1 horacio.sanchez 4334 Fri Jan 29, 2010 3:56 pm
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No new posts ScreenMD with Biological Activities
1 Kanin.Rungsardthong 4153 Thu Jan 28, 2010 7:12 pm
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No new posts Different tanimoto scores using compr
8 florent.petronin 6709 Thu Jan 28, 2010 5:46 pm
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No new posts Functional group identification
1 michael.campbell 5944 Fri Nov 20, 2009 4:08 pm
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No new posts JKlustor - Some performance questions
1 djcombes 4531 Tue Oct 20, 2009 3:12 pm
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No new posts MCS MODE_FAST and MODE_TURBO
2 tobias.girschick 5259 Tue Jul 28, 2009 10:02 am
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No new posts libmcs 0.7 - java.lang.NullPointerException
3 tkind 7193 Wed Jun 10, 2009 12:51 pm
gimre@chemaxon.com View latest post
No new posts LibMCS 0.7 stalls with Uncaught error fetching image:
4 tkind 7470 Fri May 15, 2009 3:41 pm
gimre@chemaxon.com View latest post
No new posts generatemd usage
1 yupulan 5043 Mon Apr 06, 2009 10:01 am
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No new posts literature on how jarp was used to compare libraries
1 lenz.joern 4812 Fri Mar 20, 2009 10:35 am
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No new posts Doubt:: JChem>>screenmd
4 m.remyafrancis 5758 Fri Mar 20, 2009 10:20 am
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No new posts Command syntax incorrect
14 a2031003 10885 Thu Mar 19, 2009 2:20 pm
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No new posts Structure clustering in command line on Linux
8 obuzko 6946 Wed Mar 18, 2009 11:36 am
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No new posts BCUT mismatch??
5 horvath 5307 Wed Mar 11, 2009 12:15 pm
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No new posts Virtual Screening
7 raghuvir 5665 Wed Mar 11, 2009 11:56 am
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No new posts crview
1 bobo 4106 Fri Mar 06, 2009 3:21 pm
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No new posts Relation of Daylight-fingerprint and ChemAxon-fingerprint
5 zahoo_linux 8908 Sat Feb 21, 2009 7:06 pm
avolford View latest post
No new posts Platt and Randic with or without explicit H?
8 tkind 8782 Tue Jan 20, 2009 11:35 am
pirok View latest post
No new posts Screen use external pharmacophore
1 a2031003 3585 Thu Jan 15, 2009 10:14 am
mvargyas View latest post
No new posts LibMCS 0.7 batch file problem with win version
3 tkind 5596 Wed Jan 14, 2009 10:44 am
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No new posts comparison of structural scaffolds from different libraries
15 lenz.joern 8880 Wed Jan 14, 2009 9:35 am
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No new posts visualization of libmcs' results
1 brillet 3501 Tue Dec 16, 2008 5:27 pm
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No new posts Help on using Jarp and Ward
1 hngtsai 3347 Thu Dec 11, 2008 10:54 am
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No new posts about screen
5 incubus2 5119 Thu Nov 27, 2008 3:42 pm
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No new posts MCS question
9 jun.feng 7882 Fri Nov 21, 2008 9:43 am
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No new posts MRV copy with libmcs
1 tkind 4068 Wed Oct 15, 2008 2:20 pm
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No new posts CustomDescriptor.getTanimoto() fails
4 jjyang 5766 Wed Oct 08, 2008 1:57 pm
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No new posts CFParameters() constructor NullPointerException
3 jjyang 5856 Mon Oct 06, 2008 12:48 pm
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No new posts LibMCS issues (list)
2 tkind 5415 Thu Sep 18, 2008 9:39 pm
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No new posts exception handling in libmcs
1 tkind 4099 Wed Sep 17, 2008 3:26 pm
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No new posts LibMCS 0.7 error 115
1 tkind 4324 Wed Sep 17, 2008 2:37 pm
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No new posts what is the relationship between the two "-f" para
1 yolanda.only 4778 Wed Aug 06, 2008 4:14 am
mvargyas View latest post
No new posts some questions about the parameter -g(--generate-id)
2 yolanda.only 4817 Mon Aug 04, 2008 2:33 pm
Yolanda View latest post
No new posts 1-2 Millions of compound clustering
1 andcar 5552 Tue May 20, 2008 10:40 am
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No new posts Error while running ward.
2 sumamohans 5678 Wed May 07, 2008 2:21 pm
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No new posts Filtering by property in LibMCS
1 kchandra 3722 Wed May 07, 2008 9:43 am
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No new posts how input chemical database into Library MCS?
3 kcury 6698 Thu Apr 17, 2008 2:52 pm
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No new posts createMDTable: priviledges problem
3 S.Helenon 5967 Fri Apr 04, 2008 8:27 am
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No new posts Chemical and pharmacophore fingerprints parameters
2 sylvain.lozano 6069 Wed Mar 12, 2008 3:49 pm
silvio92 View latest post
No new posts Scalar descriptors in Ward.
7 aswathy 8406 Tue Mar 11, 2008 9:46 am
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No new posts LibMCS options
4 ismail_ijjaali 8296 Mon Mar 03, 2008 9:37 am
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No new posts Questions
1 perezpin 5732 Mon Jan 07, 2008 11:45 am
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No new posts screenmd error
1 akshayubhat 5940 Mon Jan 07, 2008 11:33 am
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No new posts Minimum Path length
3 m.kossner 7386 Thu Jan 03, 2008 11:54 am
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No new posts inabilility of screenmd to calculate tanimoto coefficients
0 akshayubhat 6448 Sat Dec 15, 2007 8:08 pm
akshayubhat View latest post
No new posts simple question
15 akshayubhat 24241 Mon Dec 10, 2007 10:17 am
mvargyas View latest post
No new posts ESIFt
0 kamala.racha 5730 Fri Dec 07, 2007 12:50 pm
racharacha View latest post
No new posts WARD kelley method problem
2 bobo 6411 Fri Nov 23, 2007 2:17 pm
Niutzs View latest post
No new posts converting smiles directly to binary finger prints
3 aydingok 7821 Mon Oct 29, 2007 10:17 am
mvargyas View latest post
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