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Structure based predictions: Calculator Plugins & Chemical Terms
 Moderators: gimre, lantal, dszisz
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0 aallardyce 39479 Tue Jun 01, 2004 10:26 am
aallardyce@chemaxon.com View latest post
No new posts cxcalc with pka
10 kiet.tran 22919 Mon Feb 27, 2017 4:33 pm
dszisz View latest post
No new posts 3D minimization in MarvinJS
2 robert.grossman 10812 Mon Feb 20, 2017 2:35 pm
dszisz View latest post
No new posts Inconsistent results with Stereoisomer generation
6 tim.parrott 21504 Mon Feb 06, 2017 2:17 pm
dszisz View latest post
No new posts GeometryPlugin documentation
1 robert.grossman 10949 Wed Feb 01, 2017 1:10 pm
dszisz View latest post
No new posts 3D Alignment not working
5 rjrich 12603 Tue Jan 10, 2017 3:27 pm
rjrich@umich.edu View latest post
No new posts StereoisomerSettings
5 robert.grossman 14667 Mon Jan 02, 2017 11:26 am
dszisz View latest post
No new posts HLB for polymers.
5 elias_rojas65 16754 Mon Dec 19, 2016 10:46 am
dszisz View latest post
No new posts Smiles files with command line tools
1 poganyp 13281 Tue Dec 13, 2016 3:00 pm
dszisz View latest post
No new posts Prediction the log P for Pt(II) complexes
11 kamil_hoffmann 20658 Fri Dec 09, 2016 12:57 am
buchwalder@alumni.ubc.ca View latest post
No new posts how to get the mass of salt with non-integral coefficient
1 juan.xiong 12392 Wed Nov 23, 2016 11:06 am
dszisz View latest post
No new posts LogP/ Log D calculation
4 adamczyb 25440 Thu Nov 17, 2016 2:01 pm
zskribanek View latest post
No new posts cxcalc output options.
10 tim.j.ritchie 22062 Tue Nov 15, 2016 3:59 pm
dszisz View latest post
No new posts molconvert and charges
3 aurote 13628 Thu Nov 10, 2016 3:20 pm
dszisz View latest post
No new posts Running a SMART test on a SMILES molecule
9 jott002 19033 Mon Nov 07, 2016 11:06 am
dszisz View latest post
No new posts error logD
8 vahidehp2010 17436 Wed Nov 02, 2016 5:19 pm
Dr.V-P View latest post
No new posts majorTautomer() and dominantTautomer() functions problem
8 rnase 16638 Thu Oct 20, 2016 3:49 pm
rnase View latest post
No new posts Atomic charges don't add up to total charge
4 jswitten 15039 Tue Oct 18, 2016 12:31 pm
dszisz View latest post
No new posts Tetrazole pKa problem
3 paul.mortenson 13957 Tue Oct 18, 2016 12:04 pm
dszisz View latest post
No new posts Calculate protomers/microspecies using experimental pKas?
3 lip12ed 14572 Mon Sep 05, 2016 1:09 pm
dszisz View latest post
No new posts Calculating hydrogen bond donor/acceptor locations
5 rlmartin 18256 Fri Aug 26, 2016 3:27 am
AdaBrown View latest post
No new posts How to calculate molecule physical dimension
1 dattamarkad2 13976 Tue Aug 23, 2016 2:07 pm
dszisz View latest post
No new posts I saw some conflict in charge determining!I want to know why
2 mhmekanik 14627 Mon Aug 22, 2016 4:50 pm
mahsamekanik View latest post
No new posts pKa disparity between different chemaxon products
37 mikeforrest 65296 Fri Aug 19, 2016 5:29 pm
rhodopsin View latest post
No new posts Methology details of pKa calculator?
1 lip12ed 14250 Thu Aug 18, 2016 2:30 pm
dszisz View latest post
No new posts exception generated when predicting pKa with user trained -
7 jun.feng 19040 Wed Jul 20, 2016 2:51 pm
dszisz View latest post
No new posts Correct bond angles for sp3 hybridized atoms
3 simon.fridolf 14624 Tue Jul 19, 2016 1:35 pm
nmihala View latest post
No new posts Chemical terms pKa structure result
7 michael.campbell 17962 Mon Jul 11, 2016 2:58 pm
osvoboda View latest post
No new posts How Do I Run cxcalc?
1 aveer001 14304 Fri Jul 01, 2016 8:29 am
gimre View latest post
No new posts VERY diferent values for the same (?) protein?
1 cm.azevedo 14069 Thu Jun 23, 2016 10:46 am
dszisz View latest post
No new posts "Structural" logP increment
1 jswitten 15425 Fri Jun 17, 2016 10:22 am
dszisz View latest post
No new posts Log D
6 james.meador 20112 Wed Jun 08, 2016 9:41 am
dszisz View latest post
No new posts electrolyte concentration range
5 choi.yj.korea 16623 Wed Jun 08, 2016 9:39 am
dszisz View latest post
No new posts cxcalc decimal dot
1 aperez 14623 Mon Jun 06, 2016 10:47 am
dszisz View latest post
No new posts "hmohuckeleigenvalue: Invalid result object type: null"
1 tkind 14298 Thu May 12, 2016 2:37 pm
dszisz View latest post
No new posts Submenu Tools>Conformation>Conformations
1 tkind 14342 Thu May 12, 2016 1:28 pm
dszisz View latest post
No new posts MMFF94 energy = -92233720368547760.00 kJ/mol
1 tkind 13904 Thu May 12, 2016 1:23 pm
dszisz View latest post
No new posts implicit-solvent conformer search
1 minju.lee 14291 Thu May 12, 2016 1:16 pm
dszisz View latest post
No new posts sulfone pKa
8 robert.grossman 22980 Sat Apr 23, 2016 7:41 pm
bobgr View latest post
No new posts Hydrogen Bond Donor-Acceptor rules
16 mszabo 171113 Wed Apr 20, 2016 1:40 pm
dszisz View latest post
No new posts IUPACNamer$Error: The structure could not be dearomatized
3 enrique.frio 16682 Wed Apr 20, 2016 10:05 am
dszisz View latest post
No new posts Marvin crashes when calculating logp
3 danica.cullen 15039 Thu Apr 07, 2016 9:46 am
dszisz View latest post
No new posts Atom Numbering
1 hasans3 15585 Mon Apr 04, 2016 1:18 pm
dszisz View latest post
No new posts Principal Moment of Inertia
8 kask382 21822 Fri Apr 01, 2016 9:53 am
dszisz View latest post
No new posts customize energyE() parameters?
3 robert.grossman 15602 Tue Mar 29, 2016 4:04 pm
dszisz View latest post
No new posts Generate framework including side chain atoms.
2 tim.j.ritchie 15011 Tue Mar 22, 2016 3:37 pm
lantal View latest post
No new posts major microspecies vs major tautomer
4 smoretti 16068 Fri Mar 18, 2016 4:44 pm
smoretti View latest post
No new posts Method of log P calculation
1 megane.vangysel 14978 Wed Mar 16, 2016 2:32 pm
dszisz View latest post
No new posts Description of the units of measure
1 akausel 14167 Thu Mar 03, 2016 3:19 pm
dszisz View latest post
No new posts missing microspecies from pKa prediction
2 minju.lee 16156 Wed Mar 02, 2016 4:15 pm
upines View latest post
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