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Modeling the Octanol-Water Partition Coefficient of Substituted Phenols by the Use of Structure Information

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CONTRIBUTORS:
  Author Lorentz JÄNTSCHI (Technical University of Cluj-Napoca)
  Author Sorana-Daniela BOLBOACA (Iuliu Hatieganu University of Medicine and Pharmacy Cluj-Napoca)
JOURNAL:
  International journal of quantum chemistry, 107(8), 1736 - 1744.
YEAR: 2007
PUB TYPE: Journal Article
SUBJECT(S): chemistry - computational, chemistry - organic, chemistry - physical, informatics - models implementation, mathematics - modeling, mathematics - statistics
DISCIPLINE: Biochemistry
HTTP: http://lori.academicdirect.org/articles/work_list.php?user=lori&id=127
LANGUAGE: English
PUB ID: 103-435-826 (Last edited on 2007/07/03 09:10:22 GMT-6)
SPONSOR(S):
 
 CITATIONS: (Display Abstract)
   
[ 0 | 1 ] Felicia SPAFIU, ; Alice MISCHIE, ; Petre IONITA, ; Adrian BETERINGHE, ; Titus CONSTANTINESCU, ; Alexandru T. BALABAN, . (2009) New alternatives for estimating the octanol/water partition coefficient and water solubility for volatile organic compounds using GLC data (Kovats retention indices)
     (Journal Article in ARKIVOC )
[ 0 | 59 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2008) ET108/UEFISCSU: Processes at phases interface: Mathematical modelling, Numerical optimization, Web implementation, with applications for Separation and characterization of Biological active compounds series (MEC/5892/18.09.2006) - Research Report (extended, in Romanian)
     (Report in the series Research reports )
[ 0 | 11 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2008) A Structural Modelling Study on Marine Sediments Toxicity
     (Journal Article in Marine Drugs )
[ 1 | 6 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2008) Embedded Molecular Geometry and Molecular Topology Approach for Structure - Activity Relationships
     (Conference Paper presented at the Strasbourg Summer School on Chemoinformatics )
[ 1 | 6 ] Sorana D. BOLBOACA, ; Lorentz JÄNTSCHI, . (2008) Statistical Approach of Structure-Activity Relationships: A Case Study
     (Conference Paper presented at the Strasbourg Summer School on Chemoinformatics )
[ 0 | 32 ] Sorana D. BOLBOACA, ; Lorentz JÄNTSCHI, . (2008) GR093/UEFISCSU: Statistica Aplicata (Serii de Timp, Analiza Componentelor Principale) - Colagen - Caracterizare Structura/Proprietati (MEC/93GR/7.06.2007)
     (Report in the series Research Reports )
[ 0 | 23 ] Lorentz JANTSCHI, ; Sorana D. BOLBOACA, . (2007) ET36/UEFISCSU: Integrated Structural Investigations on Biologically Active Compounds (MEC/3150/11.10.2005) - Research Report (extended, in Romanian)
     (Report in the series Research Reports )
[ 24 | 17 ] Lorentz JÄNTSCHI, ; Sorana BOLBOACA, . (2007) Results from the Use of Molecular Descriptors Family on Structure Property/Activity Relationships
     (Journal Article in International Journal of Molecular Sciences )
[ 1 | 8 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2007) Molecular Descriptors Family on Chromatography
     (Conference Paper presented at the BBCAC-4 4th Black Sea Basin Conference on Analytical Chemistry )
[ 4 | 15 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2007) Structure-Activity Relationships on the Molecular Descriptors Family Project at the End
     (Journal Article in Leonardo Electronic Journal of Practices and Technologies )
[ 2 | 38 ] Lorentz JÄNTSCHI, ; Sorana D. BOLBOACA, . (2007) Molecular Descriptors Family Project and Their Application on Structure-Property/Activity Relationships
     (Conference Paper presented at the ChemMod 2007 - Chemical Graph Theory and Molecular Modeling Workshop )
[ 3 | 18 ] Sorana D. BOLBOACA, ; Lorentz JÄNTSCHI, . (2007) Data Mining on Structure-Activity/Property Relationships Models
     (Conference Presentation at the ECCC11- The 11th Electronic Computational Chemistry Conference )
[ 8 | 20 ] Sorana D. BOLBOACA, ; Lorentz JÄNTSCHI, . (2007) Data Mining on Structure-Activity/Property Relationships Models
     (Journal Article in World Applied Sciences Journal )
[ 2 | 4 ] Sorana D. BOLBOACA, ; Lorentz JÄNTSCHI, . (2007) Is Amino Acids Hydrophobicity a Matter of Scale?
     (Conference Paper presented at the Recent Advances in Synthesys & Chemical Biology VI )
[ 4 | 4 ] Sorana Daniela BOLBOACA, ; Lorentz JÄNTSCHI, . (2007) Modeling the Property of Compounds from Structure: Statistical Methods for Models Validation
     (Conference Presentation at the MetEcoMat: FP6: EC-INCO-CT-2005-016414 Specific Support Action )
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