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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 carbonate ion
3 robert.grossman 34839 Mon Nov 13, 2006 1:21 pm
zmohacsi View latest post
No new posts basic pKa's
45 robert.grossman 499533 Sun Nov 12, 2006 2:24 am
bobgr View latest post
No new posts License problems
3 phil.cochrane 16360 Sun Nov 05, 2006 4:25 am
TobiasKind View latest post
No new posts minor pKaPlugin bug
1 noel.southall 9239 Fri Nov 03, 2006 11:52 pm
Jozsi View latest post
No new posts LogP Accuracy - JChem vs. EPI-Suite
6 tkind 18241 Fri Nov 03, 2006 11:44 am
fcsiz@chemaxon.com View latest post
No new posts pKa calculation error
1 robert.grossman 8738 Tue Oct 31, 2006 1:42 am
Jozsi View latest post
No new posts pb academic licence keys installation
2 gael.even 8854 Wed Oct 11, 2006 8:37 am
even View latest post
No new posts black sheep of the chargePlugin...
4 horvath 9608 Tue Oct 10, 2006 5:44 pm
zmohacsi View latest post
No new posts GUI polarizability (atomic / molecular)
1 jas 7844 Tue Oct 03, 2006 10:54 pm
Jozsi View latest post
No new posts Can the tag of the result in sdf be more clear?
2 zhang 7954 Mon Oct 02, 2006 1:22 pm
zmohacsi View latest post
No new posts charge for more than one fragment
1 zhang 7914 Fri Sep 22, 2006 5:54 pm
zmohacsi View latest post
No new posts ConformerPlugin
13 horvath 14929 Fri Sep 22, 2006 12:26 pm
tvertse View latest post
No new posts Charge of hydrogen atoms
1 szdorant 9968 Mon Sep 11, 2006 4:12 pm
zmohacsi View latest post
No new posts calculate loGP with cxcalc for structures with salts
6 kiet.tran 14126 Wed Sep 06, 2006 8:32 am
TRAN-MINH View latest post
No new posts dihedral angles
16 robert.grossman 42442 Thu Aug 03, 2006 8:55 pm
bobgr View latest post
No new posts pKa in different solvants + manual pKa & microspecies
2 nicolas.saettel 11596 Fri Jul 21, 2006 1:22 pm
saettel View latest post
No new posts Running cxcalc from a script.
2 reisner 9484 Thu Jul 20, 2006 5:31 pm
eisner View latest post
No new posts Electronegativities
3 jas 10817 Thu Jun 29, 2006 8:56 am
Jozsi View latest post
No new posts pKa value of ephedrine, N-methylephedrine, norephedrine
4 carls 20736 Wed Jun 28, 2006 5:06 pm
Jozsi View latest post
No new posts setInputMolecule exception
4 dengxia0 11134 Wed Jun 28, 2006 1:06 pm
tvertse View latest post
No new posts pKa of benzodiazepines
1 chemaxon 14167 Tue Jun 27, 2006 2:26 pm
Jozsi View latest post
No new posts GeometryPlugin
1 omarhaq 10676 Sat Jun 17, 2006 6:59 pm
zmohacsi View latest post
No new posts Partial charge calculation
1 fcsiz 14949 Fri Jun 09, 2006 12:27 am
Jozsi View latest post
No new posts Exporting results from plugins to C++ file
2 miriam.oriordan 12314 Thu May 25, 2006 4:39 pm
miriam.oriordan View latest post
No new posts pKa adenine
4 carls 26912 Fri May 19, 2006 1:02 pm
Jozsi View latest post
No new posts pKa plugin applicability
3 kai.hartmann 14460 Fri May 19, 2006 12:58 pm
Jozsi View latest post
No new posts pka plugin and aromaticity
4 andreas.teckentrup 12634 Tue May 09, 2006 11:47 pm
Jozsi View latest post
No new posts Tautomeric forms
2 kai.hartmann 10869 Wed May 03, 2006 1:35 pm
Jozsi View latest post
No new posts pKa predictions for Dihydroxybezenes
1 carls 11305 Tue Apr 25, 2006 11:23 am
Jozsi View latest post
No new posts Match and matchcount
7 sschurer 15800 Wed Apr 19, 2006 7:07 pm
sschurer1 View latest post
No new posts pKa and logP for caffeine
1 carls 29285 Thu Mar 30, 2006 11:22 pm
Jozsi View latest post
No new posts logP prediction for riboflavin
2 carls 11702 Thu Mar 30, 2006 7:27 pm
Jozsi View latest post
No new posts H bond viewer
2 carls 12607 Fri Mar 10, 2006 6:08 pm
carls View latest post
No new posts The temperature value of pka plugin
4 zxdcs 17570 Mon Feb 27, 2006 7:04 pm
carls View latest post
No new posts pKa predictions for Furosemide
9 carls 24482 Mon Feb 27, 2006 7:03 pm
carls View latest post
No new posts logD values for basic compounds @ pH 2 units below pKa
6 carls 21628 Thu Feb 23, 2006 7:45 pm
Jozsi View latest post
No new posts Marvin Provide Dipole Moment Value for Molecule
1 carls 13537 Mon Feb 20, 2006 1:02 pm
Jozsi View latest post
No new posts same structure but LOGP different : why?
5 kiet.tran 13787 Thu Feb 16, 2006 4:04 pm
Jozsi View latest post
No new posts Evaluator
1 tobias.fink 9979 Tue Feb 14, 2006 1:34 pm
pirok View latest post
No new posts Little bug with evaluator and a SD file
6 foata.nicolas 12249 Mon Feb 13, 2006 6:17 pm
Nora View latest post
No new posts Polarization and 3D clean
6 jpurdon 12878 Tue Feb 07, 2006 3:16 pm
jszegezdi View latest post
No new posts a theoretical pre resonant Raman calculation using gaussian
2 lisrobles 12066 Tue Jan 31, 2006 12:37 pm
ShikoZaba View latest post
No new posts Stereoisomery
1 Rosario 10786 Mon Jan 30, 2006 3:12 pm
mvargyas View latest post
No new posts cxcalc option to store only logp value
1 kiet.tran 9577 Sat Jan 14, 2006 6:01 pm
Nora View latest post
No new posts command CXCALC -S modify the CTAB block
11 kiet.tran 14158 Sat Jan 14, 2006 3:28 pm
Nora View latest post
No new posts warning : Partial parity information is applied
5 kiet.tran 12123 Thu Jan 12, 2006 11:51 am
TRAN-MINH View latest post
No new posts creepy behavior - Charge/MajorMirospeciesPlugin
5 horvath 13010 Thu Dec 22, 2005 4:30 pm
Nora View latest post
No new posts protein pKas?
2 horvath 10675 Mon Dec 19, 2005 6:12 pm
Nora View latest post
No new posts Solvent-accessible surface fraction of atoms?
1 horvath 11751 Fri Dec 16, 2005 1:27 pm
mvargyas View latest post
No new posts calculating properties
5 renjutj 12970 Fri Dec 02, 2005 6:18 pm
Nora View latest post
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