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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 standardize using chemical terms
1 tdudgeon 2514 Tue Jan 06, 2015 1:54 pm
dszisz@chemaxon.com View latest post
No new posts which values of pka i choose
5 i.benbrahim 6217 Mon Dec 29, 2014 1:20 pm
Jozsi View latest post
No new posts logfile generation problem
4 anna.lovrics 3566 Mon Dec 15, 2014 10:22 am
lantal View latest post
No new posts Heavy atom count
22 swain 18331 Fri Dec 12, 2014 1:00 pm
Jozsi View latest post
No new posts dipole alignment
1 p.koprowski 2483 Fri Dec 12, 2014 10:44 am
dszisz@chemaxon.com View latest post
No new posts amphiphilicity descriptors
1 p.koprowski 3473 Thu Dec 11, 2014 1:25 pm
dszisz@chemaxon.com View latest post
No new posts solubility logS - logS of what? (comparison with uM?)
2 alexander.minidis 13906 Thu Nov 13, 2014 4:51 pm
alemin View latest post
No new posts One structure produces two canonical tautomers
1 tim.parrott 2435 Tue Nov 04, 2014 3:06 pm
dszisz@chemaxon.com View latest post
No new posts Error with cxcalc and stereoisomers plugin
1 jose-manuel.gally 2512 Tue Nov 04, 2014 11:42 am
lantal View latest post
No new posts PairwiseAlignment vs. PairwiseSimilarity3D
3 swilkens 5248 Fri Oct 24, 2014 1:14 pm
adrian View latest post
No new posts Discrepancy: majorMicrospecies & microspecies distribution
2 cho 2597 Thu Oct 23, 2014 10:19 pm
intrexon2014 View latest post
No new posts problems with energyE() calculations
2 robert.grossman 2539 Wed Oct 15, 2014 2:38 pm
dszisz@chemaxon.com View latest post
No new posts Error using major microspecies in custom script
1 samseaver 2212 Fri Oct 10, 2014 2:14 pm
dszisz@chemaxon.com View latest post
No new posts please comment on this carbanion produced by Marvin
6 jji 3718 Thu Oct 02, 2014 8:04 pm
jir322 View latest post
No new posts Inconsistent molecular structure.
5 karapetyank 3292 Thu Oct 02, 2014 6:01 pm
Jozsi View latest post
No new posts time limit on tautomer plugin
3 karapetyank 2771 Thu Oct 02, 2014 5:40 pm
Jozsi View latest post
No new posts cxcalc majorms2 on already protonated 3d structure
1 pihan 2391 Thu Oct 02, 2014 2:19 pm
Jozsi View latest post
No new posts Does LogP algorithm consider intramolecular H bonds?
10 amel 4644 Thu Sep 18, 2014 1:02 pm
KB2012 View latest post
No new posts Calculated LogD is higher than logP
2 vagoi 2725 Tue Sep 16, 2014 4:32 pm
Jozsi View latest post
No new posts JChem for XL surface area and geometry calculations
1 a.rath 2388 Mon Sep 15, 2014 1:50 pm
dszisz@chemaxon.com View latest post
No new posts generating a vector to describe orientation of a pose
2 aacev007 2636 Mon Sep 15, 2014 1:47 pm
dszisz@chemaxon.com View latest post
No new posts Dipole Calculator Plug-in missing
1 cbockisc 2457 Mon Sep 15, 2014 11:22 am
dszisz@chemaxon.com View latest post
No new posts chemaxon properties: pi interactions
4 philip.prathipati 3024 Tue Sep 09, 2014 7:17 am
Jozsi View latest post
No new posts Lone Pairs as Special Nodes
4 bernardkriel 3375 Fri Sep 05, 2014 10:11 am
Plasmic Physics View latest post
No new posts calling chemaxon.jep.Evaluator
1 vagoi 2397 Mon Sep 01, 2014 1:50 pm
lantal View latest post
No new posts Consystency error in FragmentStore: conformer count mismatch
6 u0597274 4190 Wed Aug 27, 2014 12:06 pm
dszisz@chemaxon.com View latest post
No new posts include rare tautomers in output
5 tste 3150 Fri Aug 22, 2014 1:18 pm
dszisz@chemaxon.com View latest post
No new posts calculating dipole vector from command line
3 aacev007 2724 Fri Aug 22, 2014 12:37 am
ajaceves View latest post
No new posts molconvert clean 3D undefined stereocenters
1 anna.lovrics 2289 Thu Aug 07, 2014 1:39 pm
gimre@chemaxon.com View latest post
No new posts Dipole Moment
2 xenophage 2463 Wed Jul 30, 2014 7:08 pm
UncleAl View latest post
No new posts atomic contributions to van der Waals Surface Area?
1 kristin.andrews 2238 Wed Jul 30, 2014 12:55 pm
dszisz@chemaxon.com View latest post
No new posts discrepancy between logP and logD
1 martinex 2197 Tue Jul 29, 2014 2:37 pm
dszisz@chemaxon.com View latest post
No new posts cxcalc logs output error/bug
4 jsorensen 3691 Wed Jul 23, 2014 3:29 pm
lantal View latest post
No new posts "Some features of cannot be converted to smiles" problem
1 magno79 2402 Wed Jul 23, 2014 9:36 am
zmohacsi View latest post
No new posts LogP Plugin Problem
1 lochana.m 3151 Wed Jun 25, 2014 11:13 am
lantal View latest post
No new posts pharmacophore typing and Electrostatic potentials
5 aperez 5616 Wed Jun 18, 2014 1:27 pm
dszisz@chemaxon.com View latest post
No new posts Length perpendicular to maximum area
1 rndas_ju 3226 Mon Jun 16, 2014 11:29 am
dszisz@chemaxon.com View latest post
No new posts pKa value calculation of planer and non-planer molecule?
2 ryie1 3789 Fri Jun 13, 2014 4:00 am
hosona View latest post
No new posts how to judge if the structure has stereoisomer?
3 juan.xiong 3496 Mon Jun 02, 2014 1:15 pm
lantal View latest post
No new posts Ideas to identify zwitterions?
2 Fjodor.Melnikov 3612 Fri May 23, 2014 3:00 pm
dszisz@chemaxon.com View latest post
No new posts Aromatic ring system count.
3 tim.j.ritchie 3443 Thu May 22, 2014 3:55 pm
dszisz@chemaxon.com View latest post
No new posts cxcalc majorms removes disconnected components
5 samseaver 4345 Sat May 17, 2014 12:51 pm
Jozsi View latest post
No new posts ChemAxon account : partial charge calculation
2 sbasu 3201 Thu May 15, 2014 4:11 pm
nemo8130 View latest post
No new posts How to determine whether a compound is an anion/cation/zwitt
3 brownticket 7816 Tue May 13, 2014 10:14 am
dszisz@chemaxon.com View latest post
No new posts Formal Charge at pH using chemical terms
3 cknox 4945 Thu May 08, 2014 10:31 am
plajko@chemaxon.com View latest post
No new posts Calculate MW based on the Molecule Formula with charge throw
4 sweetsivanandam 3374 Wed May 07, 2014 8:20 am
sivanandam View latest post
No new posts Calculate MW based on the Molecule Formula throw the error
2 sweetsivanandam 3073 Tue May 06, 2014 2:02 pm
msteiner View latest post
No new posts Calculate MW based on the Molecule Formula throw the error
3 sweetsivanandam 3448 Mon Apr 28, 2014 8:36 pm
pcseh View latest post
No new posts units
5 aallardyce 11482 Wed Apr 16, 2014 10:53 am
Jozsi View latest post
No new posts time limit on canonical tautomer computation
3 karapetyank 4229 Tue Apr 15, 2014 4:56 pm
gvasko View latest post
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