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Structure based predictions: Calculator Plugins & Chemical Terms
 Moderators: gimre@chemaxon.com, lantal, dszisz@chemaxon.com
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No new posts strange clean3d behaviour
1 lorenz.blum 4373 Fri Feb 01, 2008 3:37 pm
gimre@chemaxon.com View latest post
No new posts Hueckel Calculations Parameter
2 Hans-Ulrich.Wagner 5626 Mon Jan 28, 2008 2:45 pm
HUWagner View latest post
No new posts doubly propargylic carbanion, alkynes
5 robert.grossman 9499 Wed Jan 23, 2008 7:48 pm
bobgr View latest post
No new posts azide pKa
3 robert.grossman 9754 Wed Jan 23, 2008 7:35 pm
Jozsi View latest post
No new posts Plugins for Jchem
2 astelzer 5568 Wed Jan 23, 2008 3:14 pm
zmohacsi View latest post
No new posts energyE
10 robert.grossman 9282 Wed Jan 16, 2008 9:11 am
Jozsi View latest post
No new posts error while tautomer calculation
4 m.kossner 5884 Wed Dec 12, 2007 10:26 am
m.kossner View latest post
No new posts multi ionization centers and pKa
5 ismail.ijjaali 7096 Wed Dec 05, 2007 12:59 pm
Jozsi View latest post
No new posts JC_FORMULA function: Results for simple structures
1 ftm 4902 Fri Nov 30, 2007 2:24 pm
pirok View latest post
No new posts Apparent logP Discrepancy
3 miriam.oriordan 5815 Wed Oct 24, 2007 1:14 pm
zmohacsi View latest post
No new posts Hydrogen bonds in MarvinSketch 4.1.13.0
1 julio 5357 Wed Oct 24, 2007 11:30 am
Jozsi View latest post
No new posts MArvinBeans version 3.3.3 and Molinspiration
1 miriam.oriordan 5930 Wed Oct 17, 2007 12:48 pm
zmohacsi View latest post
No new posts isotopeFormula and dotDisconnectedFormula
1 cees.lensink 5067 Thu Oct 11, 2007 5:52 pm
pirok View latest post
No new posts Pka (batch mode and individual)
7 ucheemak 9893 Wed Oct 10, 2007 4:15 pm
zmohacsi View latest post
No new posts cxcalc conformer option problem
1 tkind 7989 Fri Sep 21, 2007 10:24 am
zmohacsi View latest post
No new posts Number of arguments in cxcalc on Windows
3 jas 14080 Wed Sep 12, 2007 11:07 am
tvertse View latest post
No new posts plugin license setup
6 zhang_hongzhou 9783 Fri Jul 06, 2007 3:40 pm
zhanghz View latest post
No new posts pKa inconsistencies
8 robert.grossman 11864 Wed Jun 06, 2007 7:34 am
Jozsi View latest post
No new posts Custom Atomic Weights
2 swilkens 7635 Mon Jun 04, 2007 4:17 pm
wilkssj View latest post
No new posts aromatization & canonical resonance form
1 robert.grossman 5825 Fri Jun 01, 2007 5:21 pm
Jozsi View latest post
No new posts How do I get single pKa value via sql jc_evaluate?
9 mpustelnik 14100 Thu May 31, 2007 11:39 pm
Jozsi View latest post
No new posts wrong value for calculator plugins with version 3.1.5
8 S.Helenon 9561 Sat May 26, 2007 11:29 am
severine View latest post
No new posts PSA calculation in marvinview
2 adam.renslo 6757 Tue May 22, 2007 10:46 pm
arenslo View latest post
No new posts output to separate files
2 icamps 6345 Tue May 22, 2007 6:18 pm
icamps View latest post
No new posts ArrayIndexOutOfBoundsException
5 trevor_kramer 9053 Thu May 17, 2007 10:10 am
Jozsi View latest post
No new posts Error in Microspecies Distribution for PABA
21 carls 23477 Thu May 10, 2007 1:44 pm
Jozsi View latest post
No new posts Error in Predicted Acidic pKa for Nicotinic Acid
4 acsanchez 13762 Tue May 08, 2007 1:53 pm
Jozsi View latest post
No new posts logD Calculation - Possible to Specify pKa's?
1 acsanchez 5918 Wed May 02, 2007 9:16 pm
Jozsi View latest post
No new posts My php code can't see the file licences
5 kiet.tran 8286 Sun Mar 18, 2007 2:29 pm
TRAN-MINH View latest post
No new posts LogP Calculator - Which Algorithm?
2 ftm 12054 Wed Mar 14, 2007 7:51 pm
Jozsi View latest post
No new posts fun with DYNAMICpKaPREFIX, some remaining bugs
10 robert.grossman 18588 Tue Feb 27, 2007 10:54 pm
bobgr View latest post
No new posts "canonical resonance form"?
5 robert.grossman 16278 Sun Feb 25, 2007 1:47 pm
Jozsi View latest post
No new posts problem with HBDA calculation
4 S.Helenon 9599 Fri Feb 09, 2007 10:26 am
severine View latest post
No new posts SDF files with reaction centers marked
1 jas 7280 Wed Feb 07, 2007 2:16 pm
Szabolcs View latest post
No new posts TPSAPlugin licence key not accepted
5 nlct 11483 Mon Jan 29, 2007 6:29 pm
nlct View latest post
No new posts pKa theophylline
1 carls 13469 Thu Jan 18, 2007 8:55 am
Jozsi View latest post
No new posts Some cxcalc terms fail even with fallback option on
1 tkind 8112 Wed Jan 10, 2007 1:53 pm
zmohacsi View latest post
No new posts Geometry option fails for (bastard) Claus Benzol
1 tkind 12306 Fri Jan 05, 2007 3:58 pm
zmohacsi View latest post
No new posts Identification of chiral centers
6 jas 32605 Fri Dec 22, 2006 10:31 am
pirok View latest post
No new posts Active MolWeight
2 zsolt.bikadi 10328 Mon Dec 18, 2006 4:04 pm
zmohacsi View latest post
No new posts minor bug in ResonancePlugin
1 robert.grossman 8813 Mon Dec 18, 2006 2:44 pm
Jozsi View latest post
No new posts some more pKa bugs
2 robert.grossman 8895 Tue Dec 12, 2006 9:28 pm
bobgr View latest post
No new posts Evaluator slow during pka evaluation, old test version fast
3 tkind 9973 Mon Dec 11, 2006 6:32 pm
zmohacsi View latest post
No new posts Exception in ConformerPlugin
4 f.tillier 11286 Mon Dec 04, 2006 5:57 pm
ofarkas View latest post
No new posts Conformers generation
17 f.tillier 16165 Fri Nov 24, 2006 4:27 pm
FTillier View latest post
No new posts pKa image
1 zsolt.bikadi 12288 Fri Nov 24, 2006 12:13 pm
zmohacsi View latest post
No new posts Unique charges
12 jas 15814 Fri Nov 24, 2006 11:58 am
Jozsi View latest post
No new posts Merge MajorMicrospeciesPlugin and pKaPlugin!
1 horvath 8329 Wed Nov 22, 2006 2:47 pm
zmohacsi View latest post
No new posts cxcalc java.io.IOException , but in Marvin it works
3 tkind 8871 Fri Nov 17, 2006 11:29 am
ofarkas View latest post
No new posts resonance plugin problem
1 robert.grossman 8814 Tue Nov 14, 2006 5:52 pm
Jozsi View latest post
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