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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 ECFP/FCFP Fingerprints in JChem
16 swilkens 16258 Thu Jun 16, 2011 5:28 pm
pkovacs84 View latest post
No new posts incomplete ring systems as MCS from LibMCS
1 ssalaniwal 2233 Wed Jun 08, 2011 9:51 am
mvargyas View latest post
No new posts how to find the most dissimilar molecules
1 incubus2 2446 Wed May 11, 2011 10:32 am
mvargyas View latest post
No new posts download chemaxon package and class
3 rollin_ndom 3533 Tue May 10, 2011 11:16 pm
mvargyas View latest post
No new posts How does screen3D work?
2 gkxiao 2636 Sun May 08, 2011 3:12 am
solomon View latest post
No new posts construction of molecular fingerprint
1 rollin_ndom 2523 Sat May 07, 2011 11:58 am
mvargyas View latest post
No new posts chemaxon.sss.search.MCS
7 tiliu 8975 Thu Mar 31, 2011 3:20 pm
mvargyas View latest post
No new posts Deploy LibMCS results on a webpage
4 kaushik.x.raha 5129 Thu Mar 31, 2011 11:21 am
mvargyas View latest post
No new posts LibMCS applet error
1 anna 2189 Mon Mar 21, 2011 6:53 pm
gimre@chemaxon.com View latest post
No new posts MCES output
1 gonzalo.colmenarejo 2309 Fri Mar 11, 2011 5:31 pm
pkovacs84 View latest post
No new posts Maximun Not Common Structure??
6 i32alfim 6431 Wed Feb 16, 2011 4:00 pm
marce_af View latest post
No new posts two questions about mcs
4 vzernov 16362 Wed Feb 16, 2011 1:56 pm
mvargyas View latest post
No new posts LibraryMCS Clustering - Ring bonds added to source structure
2 ahussain 2411 Tue Feb 15, 2011 4:04 pm
ahussain View latest post
No new posts LibMCS API
10 ahussain 8326 Tue Feb 15, 2011 11:19 am
ahussain View latest post
No new posts Jarp command-line usage
1 robzero33 2157 Fri Feb 11, 2011 5:09 pm
mvargyas View latest post
No new posts Library MCS
1 brian 2587 Fri Feb 11, 2011 4:53 pm
mvargyas View latest post
No new posts ranking compounds by similarity
6 Philip.Zakaria 3483 Mon Feb 07, 2011 9:31 am
Szabolcs View latest post
No new posts MCS results change if target and query are switched
3 tobias.girschick 5240 Mon Jan 10, 2011 4:09 pm
pkovacs84 View latest post
No new posts How to generate the fingerprint value of a Molecule object
1 jiglesias 2157 Wed Jan 05, 2011 1:34 pm
pkovacs84 View latest post
No new posts Chemical Fingerprint get 0/1 values
1 buchwald 3013 Mon Jan 03, 2011 2:32 pm
mvargyas View latest post
No new posts screening using scalar descriptors
4 incubus2 3199 Mon Jan 03, 2011 1:38 pm
incubus View latest post
No new posts Common set of atoms
1 madeleine.seeland 2261 Mon Jan 03, 2011 1:24 pm
mvargyas View latest post
No new posts docking
0 sushmitha.somavarapu 2263 Wed Dec 29, 2010 5:46 pm
sushmitha View latest post
No new posts filter out functional groups
6 cchung 4774 Sat Dec 25, 2010 10:39 pm
azole View latest post
No new posts binary pharmacophore fingerprints
5 incubus2 5720 Thu Dec 16, 2010 12:05 pm
mvargyas View latest post
No new posts Error in MCS Computation?
5 madeleine.seeland 3937 Wed Dec 01, 2010 11:15 am
mvargyas View latest post
No new posts Substract a substructure from a structure
4 madeleine.seeland 3660 Sat Oct 30, 2010 12:57 am
pkovacs84 View latest post
No new posts q1_CF_Tan info
1 chiriano 2834 Fri Oct 22, 2010 1:17 pm
mvargyas View latest post
No new posts Help with bm utility please
1 bzhou 4016 Tue Sep 28, 2010 10:09 am
gimre@chemaxon.com View latest post
No new posts jchem thinks this is a query - then PMapper crashes!
3 horvath 4230 Thu Sep 16, 2010 9:26 am
dragos View latest post
No new posts ECFP fingerprints
2 atstrong 4380 Tue Sep 07, 2010 3:30 pm
cdd View latest post
No new posts libmcs
2 swain 4142 Mon Jul 19, 2010 2:04 pm
mvargyas View latest post
No new posts getTversky throws exception
3 stephen.d.pickett 4999 Wed Jul 07, 2010 5:46 pm
adrian View latest post
No new posts Compr to calculate dissimilarity usin molecular descriptors
1 sangi 3971 Wed Jun 30, 2010 1:55 pm
mvargyas View latest post
No new posts Tversky error
2 shane.g.weaver 4063 Tue Jun 29, 2010 4:07 pm
shanew View latest post
No new posts input file for screenMD
5 ygandhi 5943 Thu Jun 24, 2010 10:02 am
mvargyas View latest post
No new posts LibMCS Enumerator
1 ahussain 4201 Wed Jun 23, 2010 12:13 am
gimre@chemaxon.com View latest post
No new posts Ward/JP API
1 swilkens 3792 Thu Jun 17, 2010 1:15 pm
mvargyas View latest post
No new posts libmcs include compound_id in csv output
2 swain 3942 Fri Jun 04, 2010 5:19 pm
drc_007 View latest post
No new posts Compare molecules with commom and non-commom subgraph
6 yasset.perez 5263 Thu Jun 03, 2010 1:08 pm
yasset.perez View latest post
No new posts error calculating Tanimoto index
1 ygandhi 4176 Thu Jun 03, 2010 11:14 am
mvargyas View latest post
No new posts Unexpected API Changes in 5.3?
5 ahussain 4705 Wed May 05, 2010 8:26 am
ahussain View latest post
No new posts error using ward or jarp
1 lenz.joern 4193 Fri Apr 23, 2010 11:46 am
mvargyas View latest post
No new posts Running Jchem in parallel environment:
3 sangi 4693 Wed Mar 17, 2010 9:29 am
mvargyas View latest post
No new posts Tversky index
5 ismail.ijjaali 8687 Tue Mar 16, 2010 1:25 pm
mvargyas View latest post
No new posts pharmacophore fingerprint
5 liny 6187 Fri Mar 12, 2010 4:42 pm
mvargyas View latest post
No new posts Usage of Jarp for scalar descriptors:
1 sangi 3890 Thu Mar 11, 2010 12:43 pm
mvargyas View latest post
No new posts Library MCS
3 Lakshmi_Akella 5736 Fri Mar 05, 2010 2:56 pm
mvargyas View latest post
No new posts Screen Installation
4 rg6k 8827 Wed Feb 24, 2010 6:39 pm
adrian View latest post
No new posts Generation of multiple descriptors: Pl suggest:
4 sangi 4735 Fri Feb 19, 2010 7:41 am
sangi79 View latest post
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