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David T. Stanton , Brian E. Mattioni , James J. Knittel , Peter C. Jurs : Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer-Assisted Quantitative Structure-Activity and Structure-Property Relationship Studies. J. Chem. Inf. Model. 44 (3 ) : 1010-1023 (2004 )export record
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C. X. Xue , Ruisheng Zhang , Huanxiang Liu , Mancang Liu , Zhide Hu , Bo Tao Fan : Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity. J. Chem. Inf. Model. 44 (4 ) : 1267-1274 (2004 )2003 export record
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journals/candc/ChenXSQYK03 share record
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Jingwen Chen , Xingya Xue , Karl-Werner Schramm , Xie Quan , Fenglin Yang , Antonius Kettrup : Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p, p?-DDT. Comput. Biol. Chem. 27 (3 ) : 165-171 (2003 )export record
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journals/candc/JouybanY03 share record
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Abolghasem Jouyban , Behrooz Hooshyar Yousefi : A quantitative structure property relationship study of electrophoretic mobility of analytes in capillary zone electrophoresis. Comput. Biol. Chem. 27 (3 ) : 297-303 (2003 )export record
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journals/jcamd/HolderYWGS03 share record
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Andrew J. Holder , David M. Yourtee , Derek A. White , Alan G. Glaros , Robert Smith : Chain melting temperature estimation for phosphatidyl cholines by quantum mechanically derived quantitative structure property relationships. J. Comput. Aided Mol. Des. 17 (2-4 ) : 223-230 (2003 )export record
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journals/jcisd/FishtikD03 share record
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Ilie Fishtik , Ravindra Datta : A Stoichiometric Approach to Quantitative Structure-Property Relationships (QSPR). J. Chem. Inf. Comput. Sci. 43 (4 ) : 1259-1268 (2003 )share record
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Swati Puri , James S. Chickos , William J. Welsh : Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpies of Fusion and Their Application to Estimates of Enthalpies of Sublimation and Aqueous Solubilities. J. Chem. Inf. Comput. Sci. 43 (1 ) : 55-62 (2003 )export record
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journals/jcisd/YaffeCEAG03 share record
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Denise Yaffe , Yoram Cohen , Gabriela Espinosa , Alex Arenas , Francesc Giralt : A Fuzzy ARTMAP-Based Quantitative Structure-Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds. J. Chem. Inf. Comput. Sci. 43 (1 ) : 85-112 (2003 )share record
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ShiWei Yin , Zhigang Shuai , Yilin Wang : A Quantitative Structure-Property Relationship Study of the Glass Transition Temperature of OLED Materials. J. Chem. Inf. Comput. Sci. 43 (3 ) : 970-977 (2003 )2002 share record
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Qianfeng Li , Lijun Dong , Runping Jia , Xingguo Chen , Zhide Hu , Bo Tao Fan : Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities. Comput. Chem. 26 (3 ) : 245-251 (2002 )share record
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Yiping Du , Yizeng Liang , Boyan Li , Cheng-Jian Xu : Orthogonalization of Block Variables by Subspace-Projection for Quantitative Structure Property Relationship (QSPR) Research. J. Chem. Inf. Comput. Sci. 42 (5 ) : 993-1003 (2002 )export record
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journals/jcisd/FitchMKLPK02 share record
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William L. Fitch , Malcolm McGregor , Alan R. Katritzky , Andre Lomaka , Ruslan Petrukhin , Mati Karelson : Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 42 (4 ) : 830-840 (2002 )share record
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Swati Puri , James S. Chickos , William J. Welsh : Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Sublimation. J. Chem. Inf. Comput. Sci. 42 (1 ) : 109-116 (2002 )share record
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Swati Puri , James S. Chickos , William J. Welsh : Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Vaporization. J. Chem. Inf. Comput. Sci. 42 (2 ) : 299-304 (2002 )export record
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Denise Yaffe , Yoram Cohen , Gabriela Espinosa , Alex Arenas , Francesc Giralt : Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure-Property Relationships (QSPRs) for Octanol-Water Partition Coefficient of Organic Compounds. J. Chem. Inf. Comput. Sci. 42 (2 ) : 162-183 (2002 )export record
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Denise Yaffe , Yoram Cohen , Gabriela Espinosa , Alex Arenas , Francesc Giralt : A Fuzzy ARTMAP Based Quantitative Structure-Property Relationship (QSPR) for Predicting Aqueous Solubility of Organic Compounds J. Chem. Inf. Comput. Sci 41, 1177-1207 (2001). J. Chem. Inf. Comput. Sci. 42 (3 ) : 768-768 (2002 )2001 share record
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Subhash C. Basak , Denise R. Mills : Quantitative Structure-Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural Descriptors. J. Chem. Inf. Comput. Sci. 41 (3 ) : 692-701 (2001 )export record
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journals/jcisd/EnglishC01 share record
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Niall J. English , Daniel G. Carroll : Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks. J. Chem. Inf. Comput. Sci. 41 (5 ) : 1150-1161 (2001 )export record
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journals/jcisd/KatritzkyPTBBKM01 share record
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Alan R. Katritzky , Ruslan Petrukhin , Douglas B. Tatham , Subhash C. Basak , Emilio Benfenati , Mati Karelson , Uko Maran : Interpretation of Quantitative Structure-Property and -Activity Relationships. J. Chem. Inf. Comput. Sci. 41 (3 ) : 679-685 (2001 )export record
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journals/jcisd/KauffmanJ01 share record
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Gregory W. Kauffman , Peter C. Jurs : Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 41 (2 ) : 408-418 (2001 )share record
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Ruifeng Liu , Sung-Sau So : Development of Quantitative Structure-Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1633-1639 (2001 )share record
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Ruifeng Liu , Hongmao Sun , Sung-Sau So : Development of Quantitative Structure-Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1623-1632 (2001 )share record
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Bono Lui , István Lukovits , Sonja Nikolic , Nenad Trinajstic : Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling. J. Chem. Inf. Comput. Sci. 41 (3 ) : 527-535 (2001 )share record
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Denise Yaffe , Yoram Cohen : Neural Network Based Temperature-Dependent Quantitative Structure Property Relations (QSPRs) for Predicting Vapor Pressure of Hydrocarbons. J. Chem. Inf. Comput. Sci. 41 (3 ) : 463-477 (2001 )export record
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journals/jcisd/YaffeCEAG01 share record
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Denise Yaffe , Yoram Cohen , Gabriela Espinosa , Alex Arenas , Francesc Giralt : A Fuzzy ARTMAP Based on Quantitative Structure-Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds. J. Chem. Inf. Comput. Sci. 41 (5 ) : 1177-1207 (2001 )2000 export record
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journals/jcisd/CajanDSK00 share record
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Michal Cajan , Jirí Damborský , Ivan Stibor , Jaroslav Koca : Stability of Complexes of Aromatic Amides with Bromide Anion: Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 40 (5 ) : 1151-1157 (2000 )export record
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Gabriela Espinosa , Denise Yaffe , Yoram Cohen , Alex Arenas , Francesc Giralt : Neural Network Based Quantitative Structural Property Relations (QSPRs) for Predicting Boiling Points of Aliphatic Hydrocarbons. J. Chem. Inf. Comput. Sci. 40 (3 ) : 859-879 (2000 )export record
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Ovidiu Ivanciuc , Teodora Ivanciuc , Daniel Cabrol-Bass , Alexandru T. Balaban : Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators. J. Chem. Inf. Comput. Sci. 40 (3 ) : 631-643 (2000 )export record
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Heidi Engelhardt McClelland , Peter C. Jurs : Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures. J. Chem. Inf. Comput. Sci. 40 (4 ) : 967-975 (2000 )export record
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Robert C. Schweitzer , Jeffrey B. Morris : Improved Quantitative Structure Property Relationships for the Prediction of Dielectric Constants for a Set of Diverse Compounds by Subsetting of the Data Set. J. Chem. Inf. Comput. Sci. 40 (5 ) : 1253-1261 (2000 )