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57. Tonder, JE; Olesen, PH; Hansen, JB; Begtrup, M; Pettersson, I
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62. Gallegos, A; Robert, D; Girones, X; Carbo-Dorca, R
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63. Yourtee, D; Holder, AJ; Smith, R; Morrill, JA; Kostoryz, E; Brockmann, W; Glaros, A; Chappelow, C; Eick, D
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65. Cronin, MTD; Manga, N; Seward, JR; Sinks, GD; Schultz, TW
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69. Hashimoto, Y; Moriguchi, Y; Oshima, H; Kawaguchi, M; Miyazaki, K; Nakamura, M
    Measurement of estrogenic activity of chemicals for the development of newdental polymers
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70. Geiss, KT; Frazier, JM
    QSAR modeling of oxidative stress in vitro following hepatocyte exposures to halogenated methanes
    TOXICOLOGY IN VITRO
    
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71. Andersson, PM; Sjostrom, M; Wold, S; Lundstedt, T
    Strategies for subset selection of parts of an in-house chemical library
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72. Varnek, A; Wipff, G; Solovev, VP
    Towards an information system on solvent extraction
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73. Singh, AK
    Development of quantitative structure-activity relationship (QSAR) models for predicting risk of exposure from carcinogens in animals
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74. Singh, AK
    Development of QSAR models to predict estrogenic, carcinogenic, and cancerprotective effects of phytoestrogens
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    A.K. Singh, "Development of QSAR models to predict estrogenic, carcinogenic, and cancerprotective effects of phytoestrogens", CANCER INV, 19(2), 2001, pp. 201-216
75. Agatonovic-Kustrin, S; Beresford, R; Pauzi, A; Yusof, M
    ANN modeling of the penetration across a polydimethylsiloxane membrane from theoretically derived molecular descriptors
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76. Argese, E; Bettiol, C; Agnoli, F; Zambon, A; Mazzola, M; Ghirardini, AV
    Assessment of chloroaniline toxicity by the submitochondrial particle assay
    ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    
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77. Wang, XD; Sun, C; Wang, LS; Han, SK
    Quantitative structure-activity relationships: Comparative inhibition of nitrogen-containing aromatics on germination of Cucumis sativus
    ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    
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78. Huuskonen, J
    Estimation of water solubility from atom-type electrotopological state indices
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79. Zhu, LL; Hou, TJ; Chen, LR; Xu, XJ
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80. Cheng, YY; Chen, WZ; Liu, P
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81. Li, JB; Cao, WL; Lin, RS; Yu, QS; Zhang, JC
    QSAR of 1-cyclopropyl-6-fluoro-7-substituted-1,4-dihydro 4-oxoquinoline-3-carboxylic acids for anti-HIV activity
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82. Kiriyama, K; Iwaya, K; Kagabu, S; Nishimura, K
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83. Ghafourian, T; Fooladi, S
    The effect of structural QSAR parameters on skin penetration
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84. Ryng, S; Zimecki, M; Fedorowicz, A; Jezierska, A
    Reactions of 5-amino-3-methylisoxazole-4-carboxylic acid hydrazide with carbonyl compounds: Immunological activity and QSAR studies of products
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85. Tao, S; Hu, HY; Xu, FL; Dawson, R; Li, BG; Cao, J
    QSAR modeling of bioconcentration factors in fish based on fragment constants and structural correction factors
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86. Raymond, JW; Rogers, TN; Shonnard, DR; Kline, AA
    A review of structure-based biodegradation estimation methods
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87. Lewis, DFV
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88. Carbo-Dorca, R; Besalu, E
    Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrodinger equation
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89. Besalu, E; Vera, L
    On the optimal selection of principal components in QSPR studies
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90. Cho, DH; Lee, SK; Kim, BT; No, KT
    Quantitative Structure-Activity Relationship (QSAR) study of new fluorovinyloxyacetamides
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY
    
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91. Fang, YY; Wang, X; Li, HY; Ma, Y; Yuan, MX; Huang, RQ; Lai, CM
    Using molecular graphics, molecular mechanics, quantum chemistry and electrostatic potential methods to study structure-property relationship on pesticides (XIII) - Studies on three-dimensional quantitative structure-activity relationship between the structures of O-(4-quinazolinyl)oxime ethers andtheir antiviral activity
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
    
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92. Chacon-Garcia, L; Martinez, R
    Cytotoxic activity and QSAR of N,N '-diarylalkanediamides
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    
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93. Bernard, P; Pintore, M; Berthon, JY; Chretien, JR
    A molecular modeling and 3D QSAR study of a large series of indole inhibitors of human non-pancreatic secretory phospholipase A(2)
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94. Pintore, M; Bernard, P; Berthon, J; Chretien, JR
    Protein-based alignment in 3D QSAR of 26 indole inhibitors of human pancreatic phospholipase A(2)
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    
    M. Pintore et al., "Protein-based alignment in 3D QSAR of 26 indole inhibitors of human pancreatic phospholipase A(2)", EUR J MED C, 36(1), 2001, pp. 21-30
95. Garg, R; Kapur, S; Hansch, C
    Radical toxicity of phenols: A reference point for obtaining perspective in the formulation of QSAR
    MEDICINAL RESEARCH REVIEWS
    
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96. Girones, X; Robert, D; Carbo-Dorca, R
    TGSA: A molecular superposition program based on topo-geometrical considerations
    JOURNAL OF COMPUTATIONAL CHEMISTRY
    
    X. Girones et al., "TGSA: A molecular superposition program based on topo-geometrical considerations", J COMPUT CH, 22(2), 2001, pp. 255-263
97. Agrafiotis, DK; Lobanov, VS
    Multidimensional scaling of combinatorial libraries without explicit enumeration
    JOURNAL OF COMPUTATIONAL CHEMISTRY
    
    D.K. Agrafiotis e V.S. Lobanov, "Multidimensional scaling of combinatorial libraries without explicit enumeration", J COMPUT CH, 22(14), 2001, pp. 1712-1722
98. Bro, R; Smilde, AK; de Jong, S
    On the difference between low-rank and subspace approximation: improved model for multi-linear PLS regression
    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
    
    R. Bro et al., "On the difference between low-rank and subspace approximation: improved model for multi-linear PLS regression", CHEM INTELL, 58(1), 2001, pp. 3-13
99. Aberg, KM; Jacobsson, SP
    Pre-processing of three-way data by pulse-coupled neural networks - an imaging approach
    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
    
    K.M. Aberg e S.P. Jacobsson, "Pre-processing of three-way data by pulse-coupled neural networks - an imaging approach", CHEM INTELL, 57(1), 2001, pp. 25-36
100. Hou, TJ; Xu, XJ
     Three-dimensional quantitative structure-activity relationship analyses ofa series of cinnamamides
     CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
     
     T.J. Hou e X.J. Xu, "Three-dimensional quantitative structure-activity relationship analyses ofa series of cinnamamides", CHEM INTELL, 56(2), 2001, pp. 123-132