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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
  • Prediction of chemical toxicity with local support vector regression and activity-specific kernels
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 413-431.
    by Maunz, , Helma,
  • Mode of action-based classification and prediction of activity of uncouplers for the screening of chemical inventories
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 433-463.
    by Spycher, , Netzeva, , Worth, , Escher,
  • Prediction of atmospheric degradation data for POPs by gene expression programming
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 465-479.
    by Luan, , Si, , Liu, , Wen, , Zhang,
  • ExPlain: finding upstream drug targets in disease gene regulatory networks
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 481-494.
    by Kel, , Voss, , Valeev, , Stegmaier, , Kel-Margoulis, , Wingender,
  • An evaluation of the implementation of the Cramer classification scheme in the Toxtree software
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 495-524.
    by Patlewicz, , Jeliazkova, , Safford, , Worth, , Aleksiev,
  • QSPR checking and validation: a case study with hydroxy radical reaction rate constant
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 525-539.
    by Hawkins, , Kraker, , Basak, , Mills,
  • Molecular graph fingerprint: a new molecular structural characterization method for the modelling and prediction of chromatographic retention behaviour of several persistent organic pollutants
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 541-553.
    by Yang, , Tian, , Li,
  • Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 555-578.
    by Enoch, , Madden, , Cronin,
  • Application of QSARs and VFARs to the rapid risk assessment process at US EPA
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 579-587.
    by Moudgal, , Young, , Nichols, , Martin, , Harten, , Venkatapathy, , Stelma, , Siddhanti, , Baier-Anderson, , Wolfe,
  • Synthesis, antimicrobial activity and QSAR studies of 2,5-disubstituted benzoxazoles
    SAR and QSAR in Environmental Research, Vol. 19, No. 5-6. (July 2008), pp. 589-612.
    by Arisoy, , Temiz-Arpaci, , Yildiz, , Kaynak-Onurdag, , Aki, , Yalcin, , Abbasoglu,
  • Prediction of drug solubility from molecular structure using a drug-like training set
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 191-212.
    by Huuskonen, , Livingstone, , Manallack,
  • Quantitative structure-affinity relationship of 5-HT1A receptor ligands by the classification tree method
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 213-244.
    by Kuz'min, , Polischuk, , Artemenko, , Makan, Yu, Andronati,
  • Homology modelling of the Apis mellifera nicotinic acetylcholine receptor (nAChR) and docking of imidacloprid and fipronil insecticides and their metabolites
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 245-261.
    by Rocher, , Marchand-Geneste,
  • Characterisation of the chemical and biological properties of molecules with QSAR/QSPR and chemical grouping, and its application to a group of alkyl ethers
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 263-284.
    by Niska, , Tuppurainen, , Skon, -P, Mallett, , Kolehmainen,
  • QSAR studies using the parashift system
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 285-302.
    by Livingstone, , Clark, , Ford, , Hudson, , Whitley,
  • Online resource for theoretical study of hydration of biopolymers
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 303-315.
    by Sobolev, , Sobolev, , Tikhonov,
  • Representation of proteins as walks in 20-D space
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 317-337.
    by Novic, , Randic,
  • On novel representation of proteins based on amino acid adjacency matrix
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 339-349.
    by Randic, , Novic, , Vracko,
  • Structure-related clustering of gene expression fingerprints of thp-1 cells exposed to smaller polycyclic aromatic hydrocarbons
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 351-373.
    by Wan, , Yarbrough, , Schultz,
  • Estimation of bioconcentration factors using molecular electro-topological state and flexibility
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 375-395.
    by Wang, , Li, , Ding, , Jiang, , Chang,
  • Toxmatch-a new software tool to aid in the development and evaluation of chemically similar groups
    SAR and QSAR in Environmental Research, Vol. 19, No. 3-4. (April 2008), pp. 397-412.
    by Patlewicz, , Jeliazkova, , Gallegos Saliner, , Worth,
  • 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,
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