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ORCIDBibTeX records: Alan R. Katritzky
@article{DBLP:journals/jcisd/OliferenkoOGSSGPPHK14,
author = {Polina V. Oliferenko and
Alexander A. Oliferenko and
Adel S. Girgis and
Dalia O. Saleh and
Aladdin M. Srour and
Riham F. George and
Girinath G. Pillai and
Chandramukhi S. Panda and
C. Dennis Hall and
Alan R. Katritzky},
title = {Synthesis, Bioassay, and Molecular Field Topology Analysis of Diverse
Vasodilatory Heterocycles},
journal = {J. Chem. Inf. Model.},
volume = {54},
number = {4},
pages = {1103--1116},
year = {2014},
url = {https://doi.org/10.1021/ci400723m},
doi = {10.1021/CI400723M},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/OliferenkoOGSSGPPHK14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KatritzkyHED10,
author = {Alan R. Katritzky and
C. Dennis Hall and
Bahaa El{-}Dien M. El{-}Gendy and
Bogdan Draghici},
title = {Tautomerism in drug discovery},
journal = {J. Comput. Aided Mol. Des.},
volume = {24},
number = {6-7},
pages = {475--484},
year = {2010},
url = {https://doi.org/10.1007/s10822-010-9359-z},
doi = {10.1007/S10822-010-9359-Z},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KatritzkyHED10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TulpDKAM10,
author = {Indrek Tulp and
Dimitar A. Dobchev and
Alan R. Katritzky and
William E. Acree Jr. and
Uko Maran},
title = {A General Treatment of Solubility 4. Description and Analysis of a
{PCA} Model for Ostwald Solubility Coefficients},
journal = {J. Chem. Inf. Model.},
volume = {50},
number = {7},
pages = {1275--1283},
year = {2010},
url = {https://doi.org/10.1021/ci1000828},
doi = {10.1021/CI1000828},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/TulpDKAM10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cce/KatritzkyPSDSK09,
author = {Alan R. Katritzky and
Liliana M. Pacureanu and
Svetoslav H. Slavov and
Dimitar A. Dobchev and
Dinesh O. Shah and
Mati Karelson},
title = {{QSPR} study of the first and second critical micelle concentrations
of cationic surfactants},
journal = {Comput. Chem. Eng.},
volume = {33},
number = {1},
pages = {321--332},
year = {2009},
url = {https://doi.org/10.1016/j.compchemeng.2008.09.011},
doi = {10.1016/J.COMPCHEMENG.2008.09.011},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cce/KatritzkyPSDSK09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/OliferenkoOPPZK09,
author = {Polina V. Oliferenko and
Alexander A. Oliferenko and
Gennadiy Poda and
Vladimir A. Palyulin and
Nikolai S. Zefirov and
Alan R. Katritzky},
title = {New Developments in Hydrogen Bonding Acidity and Basicity of Small
Organic Molecules for the Prediction of Physical and {ADMET} Properties.
Part 2. The Universal Solvation Equation},
journal = {J. Chem. Inf. Model.},
volume = {49},
number = {3},
pages = {634--646},
year = {2009},
url = {https://doi.org/10.1021/ci800323q},
doi = {10.1021/CI800323Q},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/OliferenkoOPPZK09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyDSK08,
author = {Alan R. Katritzky and
Dimitar A. Dobchev and
Svetoslav H. Slavov and
Mati Karelson},
title = {Legitimate Utilization of Large Descriptor Pools for {QSPR/QSAR} Models},
journal = {J. Chem. Inf. Model.},
volume = {48},
number = {11},
pages = {2207--2213},
year = {2008},
url = {https://doi.org/10.1021/ci8002073},
doi = {10.1021/CI8002073},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyDSK08.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/cce/KatritzkySDK07,
author = {Alan R. Katritzky and
Svetoslav H. Slavov and
Dimitar A. Dobchev and
Mati Karelson},
title = {Rapid {QSPR} model development technique for prediction of vapor pressure
of organic compounds},
journal = {Comput. Chem. Eng.},
volume = {31},
number = {9},
pages = {1123--1130},
year = {2007},
url = {https://doi.org/10.1016/j.compchemeng.2006.10.001},
doi = {10.1016/J.COMPCHEMENG.2006.10.001},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/cce/KatritzkySDK07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KatritzkySDK07,
author = {Alan R. Katritzky and
Svetoslav H. Slavov and
Dimitar A. Dobchev and
Mati Karelson},
title = {{QSPR} modeling of {UV} absorption intensities},
journal = {J. Comput. Aided Mol. Des.},
volume = {21},
number = {7},
pages = {371--377},
year = {2007},
url = {https://doi.org/10.1007/s10822-007-9118-y},
doi = {10.1007/S10822-007-9118-Y},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KatritzkySDK07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyPDK07,
author = {Alan R. Katritzky and
Liliana M. Pacureanu and
Dimitar A. Dobchev and
Mati Karelson},
title = {{QSPR} Study of Critical Micelle Concentration of Anionic Surfactants
Using Computational Molecular Descriptors},
journal = {J. Chem. Inf. Model.},
volume = {47},
number = {3},
pages = {782--793},
year = {2007},
url = {https://doi.org/10.1021/ci600462d},
doi = {10.1021/CI600462D},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyPDK07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KarelsonDKK06,
author = {Mati Karelson and
Dimitar A. Dobchev and
Oleksandr V. Kulshyn and
Alan R. Katritzky},
title = {Neural Networks Convergence Using Physicochemical Data},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {5},
pages = {1891--1897},
year = {2006},
url = {https://doi.org/10.1021/ci0600206},
doi = {10.1021/CI0600206},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KarelsonDKK06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyJLPKVR05,
author = {Alan R. Katritzky and
Ritu Jain and
Andre Lomaka and
Ruslan Petrukhin and
Mati Karelson and
Ann E. Visser and
Robin D. Rogers},
title = {Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium
Bromides and Benzimidazolium Bromides) Using the {CODESSA} Program
[\emph{J. Chem. Inf. Comput. Sci}. \emph{42}, 225-231 {(2002)]}},
journal = {J. Chem. Inf. Model.},
volume = {45},
number = {2},
pages = {533--534},
year = {2005},
url = {https://doi.org/10.1021/ci049691z},
doi = {10.1021/CI049691Z},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyJLPKVR05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTFLMA05,
author = {Alan R. Katritzky and
Indrek Tulp and
Dan C. Fara and
Antonino Lauria and
Uko Maran and
William E. Acree Jr.},
title = {A General Treatment of Solubility. 3. Principal Component Analysis
{(PCA)} of the Solubilities of Diverse Solutes in Diverse Solvents},
journal = {J. Chem. Inf. Model.},
volume = {45},
number = {4},
pages = {913--923},
year = {2005},
url = {https://doi.org/10.1021/ci0496189},
doi = {10.1021/CI0496189},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTFLMA05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTKFOOHR04,
author = {Alan R. Katritzky and
Kaido T{\"{a}}mm and
Minati Kuanar and
Dan C. Fara and
Alexander A. Oliferenko and
Polina V. Oliferenko and
Jonathan G. Huddleston and
Robin D. Rogers},
title = {Aqueous Biphasic Systems. Partitioning of Organic Molecules: {A} {QSPR}
Treatment},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {1},
pages = {136--142},
year = {2004},
url = {https://doi.org/10.1021/ci034194o},
doi = {10.1021/CI034194O},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTKFOOHR04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyFYKSSV04,
author = {Alan R. Katritzky and
Dan C. Fara and
Hongfang Yang and
Mati Karelson and
Takahiro Suzuki and
Vitaly P. Solov'ev and
Alexandre Varnek},
title = {Quantitative Structure-Property Relationship Modeling of \emph{beta}-Cyclodextrin
Complexation Free Energies},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {2},
pages = {529--541},
year = {2004},
url = {https://doi.org/10.1021/ci034190j},
doi = {10.1021/CI034190J},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyFYKSSV04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/OliferenkoOHRPZK04,
author = {Alexander A. Oliferenko and
Polina V. Oliferenko and
Jonathan G. Huddleston and
Robin D. Rogers and
Vladimir A. Palyulin and
Nikolai S. Zefirov and
Alan R. Katritzky},
title = {Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application
in {QSAR/QSPR} Studies and Drug Design. Partitioning of Aliphatic
Compounds},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {3},
pages = {1042--1055},
year = {2004},
url = {https://doi.org/10.1021/ci0342932},
doi = {10.1021/CI0342932},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/OliferenkoOHRPZK04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VarnekFSBTKFK04,
author = {Alexandre Varnek and
Denis Fourches and
Vitaly P. Solov'ev and
Vladimir E. Baulin and
Alexander N. Turanov and
Vasili K. Karandashev and
Dan C. Fara and
Alan R. Katritzky},
title = {"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing
Podands: {QSPR} Studies, Generation and Screening of Virtual Combinatorial
Library, and Experimental Tests},
journal = {J. Chem. Inf. Model.},
volume = {44},
number = {4},
pages = {1365--1382},
year = {2004},
url = {https://doi.org/10.1021/ci049976b},
doi = {10.1021/CI049976B},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/VarnekFSBTKFK04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyOOPTMLA03,
author = {Alan R. Katritzky and
Alexander A. Oliferenko and
Polina V. Oliferenko and
Ruslan Petrukhin and
Douglas B. Tatham and
Uko Maran and
Andre Lomaka and
William E. Acree Jr.},
title = {A General Treatment of Solubility. 1. The {QSPR} Correlation of Solvation
Free Energies of Single Solutes in Series of Solvents},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {6},
pages = {1794--1805},
year = {2003},
url = {https://doi.org/10.1021/ci034120c},
doi = {10.1021/CI034120C},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyOOPTMLA03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyOOPTMLA03a,
author = {Alan R. Katritzky and
Alexander A. Oliferenko and
Polina V. Oliferenko and
Ruslan Petrukhin and
Douglas B. Tatham and
Uko Maran and
Andre Lomaka and
William E. Acree Jr.},
title = {A General Treatment of Solubility. 2. {QSPR} Prediction of Free Energies
of Solvation of Specified Solutes in Ranges of Solvents},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {6},
pages = {1806--1814},
year = {2003},
url = {https://doi.org/10.1021/ci034122x},
doi = {10.1021/CI034122X},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyOOPTMLA03a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyLPJKVR02,
author = {Alan R. Katritzky and
Andre Lomaka and
Ruslan Petrukhin and
Ritu Jain and
Mati Karelson and
Ann E. Visser and
Robin D. Rogers},
title = {{QSPR} Correlation of the Melting Point for Pyridinium Bromides, Potential
Ionic Liquids},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {1},
pages = {71--74},
year = {2002},
url = {https://doi.org/10.1021/ci0100503},
doi = {10.1021/CI0100503},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyLPJKVR02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyJLPKVR02,
author = {Alan R. Katritzky and
Ritu Jain and
Andre Lomaka and
Ruslan Petrukhin and
Mati Karelson and
Ann E. Visser and
Robin D. Rogers},
title = {Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium
Bromides and Benzimidazolium Bromides) Using the {CODESSA} Program},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {2},
pages = {225--231},
year = {2002},
url = {https://doi.org/10.1021/ci0100494},
doi = {10.1021/CI0100494},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyJLPKVR02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/FitchMKLPK02,
author = {William L. Fitch and
Malcolm McGregor and
Alan R. Katritzky and
Andre Lomaka and
Ruslan Petrukhin and
Mati Karelson},
title = {Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property
Relationships},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {4},
pages = {830--840},
year = {2002},
url = {https://doi.org/10.1021/ci010116u},
doi = {10.1021/CI010116U},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/FitchMKLPK02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyPTD02,
author = {Alan R. Katritzky and
Ruslan Petrukhin and
Douglas B. Tatham and
Sergey Denisenko},
title = {The Chemical Inventory System of the Center for Heterocyclic Compounds,
University of Florida},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {5},
pages = {1281--1282},
year = {2002},
url = {https://doi.org/10.1021/ci020019g},
doi = {10.1021/CI020019G},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyPTD02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Ignatz-HooverPKK01,
author = {Frederick Ignatz{-}Hoover and
Ruslan Petrukhin and
Mati Karelson and
Alan R. Katritzky},
title = {{QSRR} Correlation of Free-Radical Polymerization Chain-Transfer Constants
for Styrene},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {2},
pages = {295--299},
year = {2001},
url = {https://doi.org/10.1021/ci0000528},
doi = {10.1021/CI0000528},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Ignatz-HooverPKK01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTM01,
author = {Alan R. Katritzky and
Douglas B. Tatham and
Uko Maran},
title = {Correlation of the Solubilities of Gases and Vapors in Methanol and
Ethanol with Their Molecular Structures},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {2},
pages = {358--363},
year = {2001},
url = {https://doi.org/10.1021/ci000124v},
doi = {10.1021/CI000124V},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTM01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyPPK01,
author = {Alan R. Katritzky and
Subbu Perumal and
Ruslan Petrukhin and
Erich Kleinpeter},
title = {CODESSA-Based Theoretical {QSPR} Model for Hydantoin {HPLC-RT} Lipophilicities},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {3},
pages = {569--574},
year = {2001},
url = {https://doi.org/10.1021/ci000099t},
doi = {10.1021/CI000099T},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyPPK01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyPTBBKM01,
author = {Alan R. Katritzky and
Ruslan Petrukhin and
Douglas B. Tatham and
Subhash C. Basak and
Emilio Benfenati and
Mati Karelson and
Uko Maran},
title = {Interpretation of Quantitative Structure-Property and -Activity Relationships},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {3},
pages = {679--685},
year = {2001},
url = {https://doi.org/10.1021/ci000134w},
doi = {10.1021/CI000134W},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyPTBBKM01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTM01a,
author = {Alan R. Katritzky and
Douglas B. Tatham and
Uko Maran},
title = {Theoretical Descriptors for the Correlation of Aquatic Toxicity of
Environmental Pollutants by Quantitative Structure-Toxicity Relationships},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {5},
pages = {1162--1176},
year = {2001},
url = {https://doi.org/10.1021/ci010011r},
doi = {10.1021/CI010011R},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTM01a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyPJK01,
author = {Alan R. Katritzky and
Ruslan Petrukhin and
Ritu Jain and
Mati Karelson},
title = {{QSPR} Analysis of Flash Points},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {6},
pages = {1521--1530},
year = {2001},
url = {https://doi.org/10.1021/ci010043e},
doi = {10.1021/CI010043E},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyPJK01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/LuiTSKK99,
author = {Bono Lui and
Nenad Trinajstic and
Sulev Sild and
Mati Karelson and
Alan R. Katritzky},
title = {A New Efficient Approach for Variable Selection Based on Multiregression:
Prediction of Gas Chromatographic Retention Times and Response Factors},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {39},
number = {3},
pages = {610--621},
year = {1999},
url = {https://doi.org/10.1021/ci980161a},
doi = {10.1021/CI980161A},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/LuiTSKK99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTWSK99,
author = {Alan R. Katritzky and
Tarmo Tamm and
Yilin Wang and
Sulev Sild and
Mati Karelson},
title = {{QSPR} Treatment of Solvent Scales},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {39},
number = {4},
pages = {684--691},
year = {1999},
url = {https://doi.org/10.1021/ci980225h},
doi = {10.1021/CI980225H},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTWSK99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyTWK99,
author = {Alan R. Katritzky and
Tarmo Tamm and
Yilin Wang and
Mati Karelson},
title = {A Unified Treatment of Solvent Properties},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {39},
number = {4},
pages = {692--698},
year = {1999},
url = {https://doi.org/10.1021/ci980226\%2B},
doi = {10.1021/CI980226\%2B},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyTWK99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyLK98,
author = {Alan R. Katritzky and
Victor S. Lobanov and
Mati Karelson},
title = {Normal Boiling Points for Organic Compounds: Correlation and Prediction
by a Quantitative Structure-Property Relationship},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {1},
pages = {28--41},
year = {1998},
url = {https://doi.org/10.1021/ci970029v},
doi = {10.1021/CI970029V},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyLK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/HuibersK98,
author = {Paul D. T. Huibers and
Alan R. Katritzky},
title = {Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated
Hydrocarbons with Molecular Structure},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {2},
pages = {283--292},
year = {1998},
url = {https://doi.org/10.1021/ci9700438},
doi = {10.1021/CI9700438},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/HuibersK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyMK98,
author = {Alan R. Katritzky and
Lan Mu and
Mati Karelson},
title = {Relationships of Critical Temperatures to Calculated Molecular Properties},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {2},
pages = {293--299},
year = {1998},
url = {https://doi.org/10.1021/ci970071q},
doi = {10.1021/CI970071Q},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyMK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkySLK98,
author = {Alan R. Katritzky and
Sulev Sild and
Victor S. Lobanov and
Mati Karelson},
title = {Quantitative Structure-Property Relationship {(QSPR)} Correlation
of Glass Transition Temperatures of High Molecular Weight Polymers},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {2},
pages = {300--304},
year = {1998},
url = {https://doi.org/10.1021/ci9700687},
doi = {10.1021/CI9700687},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkySLK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyWSTK98,
author = {Alan R. Katritzky and
Yilin Wang and
Sulev Sild and
Tarmo Tamm and
Mati Karelson},
title = {{QSPR} Studies on Vapor Pressure, Aqueous Solubility, and the Prediction
of Water-Air Partition Coefficients},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {4},
pages = {720--725},
year = {1998},
url = {https://doi.org/10.1021/ci980022t},
doi = {10.1021/CI980022T},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyWSTK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkySK98,
author = {Alan R. Katritzky and
Sulev Sild and
Mati Karelson},
title = {General Quantitative Structure-Property Relationship Treatment of
the Refractive Index of Organic Compounds},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {5},
pages = {840--844},
year = {1998},
url = {https://doi.org/10.1021/ci980028i},
doi = {10.1021/CI980028I},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkySK98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkySK98a,
author = {Alan R. Katritzky and
Sulev Sild and
Mati Karelson},
title = {Correlation and Prediction of the Refractive Indices of Polymers by
{QSPR}},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {6},
pages = {1171--1176},
year = {1998},
url = {https://doi.org/10.1021/ci980087w},
doi = {10.1021/CI980087W},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkySK98a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyMK97,
author = {Alan R. Katritzky and
Lan Mu and
Mati Karelson},
title = {{QSPR} Treatment of the Unified Nonspecific Solvent Polarity Scale},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {37},
number = {4},
pages = {756--761},
year = {1997},
url = {https://doi.org/10.1021/ci970011k},
doi = {10.1021/CI970011K},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyMK97.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyMKL97,
author = {Alan R. Katritzky and
Uko Maran and
Mati Karelson and
Victor S. Lobanov},
title = {Prediction of Melting Points for the Substituted Benzenes: {A} {QSPR}
Approach},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {37},
number = {5},
pages = {913--919},
year = {1997},
url = {https://doi.org/10.1021/ci970027a},
doi = {10.1021/CI970027A},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyMKL97.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyRLKL96,
author = {Alan R. Katritzky and
Peter Rachwal and
Kam Wah Law and
Mati Karelson and
Victor S. Lobanov},
title = {Prediction of Polymer Glass Transition Temperatures Using a General
Quantitative Structure-Property Relationship Treatment},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {36},
number = {4},
pages = {879--884},
year = {1996},
url = {https://doi.org/10.1021/ci950156w},
doi = {10.1021/CI950156W},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyRLKL96.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyMK96,
author = {Alan R. Katritzky and
Lan Mu and
Mati Karelson},
title = {A {QSPR} Study of the Solubility of Gases and Vapors in Water},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {36},
number = {6},
pages = {1162--1168},
year = {1996},
url = {https://doi.org/10.1021/ci960081b},
doi = {10.1021/CI960081B},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyMK96.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SzafranKKKZ93,
author = {Miroslaw Szafran and
Mati Karelson and
Alan R. Katritzky and
Jacek Koput and
Michael C. Zerner},
title = {Reconsideration of solvent effects calculated by semiempirical quantum
chemical methods},
journal = {J. Comput. Chem.},
volume = {14},
number = {3},
pages = {371--377},
year = {1993},
url = {https://doi.org/10.1002/jcc.540140312},
doi = {10.1002/JCC.540140312},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SzafranKKKZ93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GordeevaKSZ93,
author = {Ekaterina Gordeeva and
Alan R. Katritzky and
Vladimir V. Shcherbukhin and
Nikolai S. Zefirov},
title = {Rapid conversion of molecular graphs to three-dimensional representation
using the {MOLGEO} program},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {33},
number = {1},
pages = {102--111},
year = {1993},
url = {https://doi.org/10.1021/ci00011a015},
doi = {10.1021/CI00011A015},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GordeevaKSZ93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KatritzkyG93,
author = {Alan R. Katritzky and
Ekaterina Gordeeva},
title = {Traditional topological indexes vs electronic, geometrical, and combined
molecular descriptors in {QSAR/QSPR} research},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {33},
number = {6},
pages = {835--857},
year = {1993},
url = {https://doi.org/10.1021/ci00016a005},
doi = {10.1021/CI00016A005},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KatritzkyG93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jis/KatritzkyCD93,
author = {Alan R. Katritzky and
Stephen J. Cato and
James A. Deyrup},
title = {Comparison of the scope, timeliness and quality of chemical abstracts
from {VINITI} and {CAS}},
journal = {J. Inf. Sci.},
volume = {19},
number = {3},
pages = {199--210},
year = {1993},
url = {https://doi.org/10.1177/016555159301900304},
doi = {10.1177/016555159301900304},
timestamp = {Thu, 06 Jun 2019 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jis/KatritzkyCD93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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