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SAR and QSAR in Environmental Research

Articles from the last few issues of SAR and QSAR in Environmental Research © Taylor and Francis Ltd
  • Comment on "Discriminating toxicant classes by mode of action: 3. Substructure indicators" (M. Nendza and M. Muller, SAR QSAR Environ. Res. 18 155 (2007))
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 621-624.
    by Von Der Ohe, , Kuhne, , Ebert, , Schuurmann,
  • Response to Letter to the Editor: Comment on "Discriminating toxicant classes by mode of action: 3. Substructure indicators" (M. Nendza and M. Muller, SAR QSAR Environ. Res. 18 155 (2007)) (P. C. von der Ohe, R. Kuhne, R. U. Ebert and G. Schuurmann, SAR QSAR Environ. Res. 18 621 (2007))
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 625-628.
    by Nendza, , Muller,
  • Prediction of biological activity profiles of cyanobacterial secondary metabolites
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 629-643.
    by Devillers, , Dore, , Guyot, , Poroikov, , Gloriozova, , Lagunin, , Filimonov,
  • Handling uncertainties in toxicity modelling using a fuzzy filter
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 645-662.
    by Kumar, , Kumar, , Stoll, , Kragl,
  • Molecular modelling and QSAR analysis of the estrogenic activity of terpenoids isolated from Ferula plants
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 663-673.
    by Rasulev, , Saidkhodzhaev, , Nazrullaev, , Akhmedkhodzhaeva, , Khushbaktova, , Leszczynski,
  • Toxicity study of allelochemical-like pesticides by a combination of 3D-QSAR, docking, Local Binding Energy (LBE) and GRID approaches
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 675-692.
    by Fratev, , Piparo, E Lo, Benfenati, , Mihaylova,
  • Data analysis and alternative modelling of MITI-I aerobic biodegradation
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 693-709.
    by Sedykh, , Klopman,
  • Quantitative structure-activity relationships for a series of selective estrogen receptor-beta modulators
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 711-727.
    by Salum, , Polikarpov, , Andricopulo,
  • QSAR modelling of water quality indices of alkylphenol pollutants
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 729-743.
    by Kim, , Gramatica, , Kim, , Kim, , Tratnyek,
  • Prediction of acute toxicity of organophosphorus pesticides using topological indices
    SAR and QSAR in Environmental Research, Vol. 18, No. 7-8. (December 2007), pp. 745-755.
    by Garcia-Domenech, , Alarcon-Elbal, , Bolas, , Bueno-Mari, , Chorda-Olmos, , Delacour, , Mourino, , Vidal, , Galvez,
  • A new descriptor selection scheme for SVM in unbalanced class problem: a case study using skin sensitisation dataset
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 423-441.
    by Li, , Fedorowicz, , Andrew,
  • A kinetic model for predicting biodegradation
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 443-457.
    by Dimitrov, , Pavlov, , Nedelcheva, , Reuschenbach, , Silvani, , Bias, , Comber, , Low, , Lee, , Parkerton, , Mekenyan,
  • Influence of structural and functional modifications of selected genotoxic carcinogens on metabolism and mutagenicity - a review
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 459-514.
    by Kulkarni, , Moir, , Zhu,
  • An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 515-541.
    by Patlewicz, , Aptula, , Uriarte, , Roberts, , Kern, , Gerberick, , Kimber, , Dearman, , Ryan, , Basketter,
    posted by 1 person jxl
  • Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 2. Solubility in 1-octanol
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 543-578.
    by Raevsky, , Perlovich, , Schaper, -J
  • A system coefficient approach for quantitative assessment of the solvent effects on membrane absorption from chemical mixtures
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 579-593.
    by Xia, , Baynes, , Monteiro-Riviere, , Riviere,
  • Molecular modelling and enzymatic studies of acetylcholinesterase and butyrylcholinesterase recognition with paraquat and related compounds
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 595-602.
    by Alcaro, , Arcone, , Vecchio, , Ortuso, , Gallelli, , Pasceri, , Procopio, , Iannone,
  • DFT study on the structure-toxicity relationship of dioxin compounds using PLS analysis
    SAR and QSAR in Environmental Research, Vol. 18, No. 5-6. (July 2007), pp. 603-619.
    by Gu, , Jiang, , Ju, , Yang, , Yu,
  • Induction of decision trees using genetic programming for modelling ecotoxicity data: adaptive discretization of real-valued endpoints
    SAR and QSAR in Environmental Research, Vol. 17, No. 5. (October 2006), pp. 451-471.
    by Wang, , Buontempo, , Young, , Osborn,
  • Quantitative structure-property relationship studies on electrochemical degradation of substituted phenols using a support vector machine
    SAR and QSAR in Environmental Research, Vol. 17, No. 5. (October 2006), pp. 473-481.
    by Yuan, , Xiao, , Zheng, , Tian, , Lu,
  • A molecular structure based model for predicting surface tension of organic compounds
    SAR and QSAR in Environmental Research, Vol. 17, No. 5. (October 2006), pp. 483-496.
    by Delgado, , Diaz,
  • Comparison of methods for chemical-compound affinity prediction
    SAR and QSAR in Environmental Research, Vol. 17, No. 5. (October 2006), pp. 497-514.
    by Koike,
  • Prediction of tissue: air partition coefficients theoretical vs . experimental methods
    SAR and QSAR in Environmental Research, Vol. 17, No. 5. (October 2006), pp. 515-532.
    by Basak, , Mills, , Gute,
  • Computer-aided molecular design of highly potent HIV-1 RT inhibitors: 3D QSAR and molecular docking studies of efavirenz derivatives
    SAR and QSAR in Environmental Research, Vol. 17, No. 4. (August 2006), pp. 353-370.
    by Pungpo, , Saparpakorn, , Wolschann, , Hannongbua,
  • Collection and preparation of molecular databases for virtual screening
    SAR and QSAR in Environmental Research, Vol. 17, No. 4. (August 2006), pp. 371-392.
    by Saxena, , Prathipati,
  • SAR and QSAR modeling of endocrine disruptors
    SAR and QSAR in Environmental Research, Vol. 17, No. 4. (August 2006), pp. 393-412.
    by Devillers, , Marchand-Geneste, , Carpy, , Porcher,
  • A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity
    SAR and QSAR in Environmental Research, Vol. 17, No. 4. (August 2006), pp. 413-428.
    by Schultz, , Carlson, , Cronin, , Hermens, , Johnson, , O'Brien, , Roberts, , Siraki, , Wallace, , Veith,
  • Complexity of chemical graphs in terms of size, branching, and cyclicity
    SAR and QSAR in Environmental Research, Vol. 17, No. 4. (August 2006), pp. 429-466.
    by Balaban, , Mills, , Kodali, , Basak,
  • Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 253-264.
    by Bauvais, , Barbault, , Zhu, , Petitjean, , Fan,
  • Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 265-284.
    by Vracko, , Bandelj, , Barbieri, , Benfenati, , Chaudhry, , Cronin, , Devillers, , Gallegos, , Gini, , Gramatica, , Helma, , Mazzatorta, , Neagu, , Netzeva, , Pavan, , Patlewicz, , Randic, , Tsakovska, , Worth,
  • Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 1. Partitioning between octanol and air
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 285-297.
    by Raevsky, , Grigor'ev, , Raevskaja, , Schaper, -J
  • A 3D-QSAR CoMSIA study on 3-azolylmethylindoles as anti-leishmanial agents
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 299-309.
    by Giraud, , Loge, , Le Borgne, , Pagniez, , Na, , Le Pape,
  • A model validation and consensus building environment
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 311-321.
    by Abshear, , Banik, , D'Souza, , Nedwed, , Peng,
  • Alkane isomers: presence in petroleum ether and complexity
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 323-335.
    by Lukovits, , Fodor, , Gomory, , Istvan, , Keresztury, , Kotai,
  • Decision threshold adjustment in class prediction
    SAR and QSAR in Environmental Research, Vol. 17, No. 3. (June 2006), pp. 337-352.
    by Chen, , Tsai, -A, Moon, , Ahn, , Young, , Chen, -H
  • 3D-QSAR study on heterocyclic topoisomerase II inhibitors using CoMSIA
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 121-132.
    by Tekiner-Gulbas, , Temiz-Arpaci, , Yildiz, , Aki-Sener, , Yalcin,
  • A combined QSAR and partial order ranking approach to risk assessment
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 133-146.
    by Carlsen,
  • Validation of a QSAR model for acute toxicity
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 147-171.
    by Pavan, , Netzeva, , Worth,
  • QSPRs for the prediction of photodegradation half-life of PCBs in n -hexane
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 173-182.
    by Niu, , Yang, , Shen, , Wang,
  • Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutants
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 183-194.
    by Saparpakorn, , Hannongbua, , Rognan,
  • Prediction of estrogenicity: validation of a classification model
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 195-223.
    by Saliner, A Gallegos, Netzeva, , Worth,
  • Ecotoxicity prediction by adaptive fuzzy partitioning: comparing descriptors computed on 2D and 3D structures
    SAR and QSAR in Environmental Research, Vol. 17, No. 2. (April 2006), pp. 225-251.
    by Piclin, , Pintore, , Wechman, , Roncaglioni, , Benfenati, , Chretien,
  • Structural e-bioinformatics and drug design
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 1-10.
    by AJM Carpy, N Marchand-Geneste
  • MolDIA: XML based system of molecular diversity analysis towards virtual screening and QSPR
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 11-23.
    by AG Maldonado, M Petitjean, JP Doucet, A Panaye, BT Fan
  • Integration of genomic data for pharmacology and toxicology using Internet resources
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 25-36.
    by J Paananen, G Wong
  • Optimal neighbor selection in molecular similarity: comparison of arbitrary versus tailored prediction spaces
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 37-51.
    by BD Gute, SC Basak
  • QSAR approach for mixture toxicity prediction using independent latent descriptors and fuzzy membership functions
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 53-73.
    by M Mwense, XZ Wang, FV Buontempo, N Horan, A Young, D Osborn
  • Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 75-91.
    by A Panaye, BT Fan, JP Doucet, XJ Yao, RS Zhang, MC Liu, ZD Hu
  • Homology model of the rainbow trout estrogen receptor (rtER) and docking of endocrine disrupting chemicals (EDCs)
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 93-105.
    by N Marchand-Geneste, M Cazaunau, AJM Carpy, M Laguerre, JM Porcher, J Devillers
  • Metabolic activation of chemicals: in-silico simulation
    SAR and QSAR in Environmental Research, Vol. 17, No. 1. (February 2006), pp. 107-120.
    by O Mekenyan, S Dimitrov, N Dimitrova, G Dimitrova, T Pavlov, G Chankov, S Kotov, K Vasilev, R Vasilev
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