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La ricerca find articoli where soggetti phrase all words 'QUANTITATIVE STRUCTURE-ACTIVITY' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 355 riferimenti
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    1. Hirashima, A; Eiraku, T; Watanabe, Y; Kuwano, E; Taniguchi, E; Eto, M
      Identification of novel inhibitors of calling and in vitro [C-14]acetate incorporation by pheromone glands of Plodia interpunctella

      PEST MANAGEMENT SCIENCE
    2. Nishimura, K; Okimoto, H
      Effects of organosilicon pyrethroid-like insecticides on nerve preparations of American cockroaches and crayfish

      PEST MANAGEMENT SCIENCE
    3. Moosmann, B; Skutella, T; Beyer, K; Behl, C
      Protective activity of aromatic amines and imines against oxidative nerve cell death

      BIOLOGICAL CHEMISTRY
    4. Van Regenmortel, MHV
      Analysing structure-function relationships with biosensors

      CELLULAR AND MOLECULAR LIFE SCIENCES
    5. Sello, G; Sala, L; Benfenati, E
      Predicting toxicity: a mechanism of action model of chemical mutagenicity

      MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS
    6. Kulkarni, A; Hopfinger, AJ; Osborne, R; Bruner, LH; Thompson, ED
      Prediction of eye irritation from organic chemicals using membrane-interaction QSAR analysis

      TOXICOLOGICAL SCIENCES
    7. Seward, JR; Cronin, MTD; Schultz, TW
      Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines- An examination into extension of surface-response domains

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    8. Tao, S; Lu, XX; Cao, J; Dawson, R
      A comparison of the fragment constant and molecular connectivity indices models for normalized sorption coefficient estimation

      WATER ENVIRONMENT RESEARCH
    9. Liu, SS; Yin, CS; Shi, YY; Cai, SX; Li, ZL
      MEDV-13 for QSAR studies on the COX-2 inhibition by indomethacin amides and esters

      CHINESE JOURNAL OF CHEMISTRY
    10. Huang, YS; Luedtke, RR; Freeman, RA; Wu, L; Mach, RH
      Synthesis of 2-(2,3-dimethoxyphenyl)-4-(aminomethyl)imidazole analogues and their binding affinities for dopamine D-2 and D-3 receptors

      BIOORGANIC & MEDICINAL CHEMISTRY
    11. de Oliveira, DB; Gaudio, AC
      BuildQSAR: A new computer program for QSAR analysis

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    12. Poda, GI; Landsittel, DP; Brumbaugh, K; Sharp, DS; Frasch, HF; Demchuk, E
      Random sampling or 'random' model in skin flux measurements? [Commentary on "Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships"]

      EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
    13. Gallegos, A; Robert, D; Girones, X; Carbo-Dorca, R
      Structure-toxicity relationships of polycyclic aromatic hydrocarbons usingmolecular quantum similarity

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    14. Soffers, AEMF; Boersma, MG; Vaes, WHJ; Vervoort, J; Tyrakowska, B; Hermens, JLM; Rietjens, IMCM
      Computer-modeling-based SARs for analyzing experimental data on biotransformation and toxicity

      TOXICOLOGY IN VITRO
    15. 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
    16. Lin, ZH; Liu, SS; Li, ZL
      Structural parameterization and QSAR of oligopeptides

      ACTA CHIMICA SINICA
    17. Durr, J; Maurer, G
      Linear solvation energy relationship parameters of some pure liquid organic compounds from solvatochromic investigations

      FLUID PHASE EQUILIBRIA
    18. Raymond, JW; Rogers, TN; Shonnard, DR; Kline, AA
      A review of structure-based biodegradation estimation methods

      JOURNAL OF HAZARDOUS MATERIALS
    19. Lewis, DFV
      COMPACT: a structural approach to the modelling of cytochromes P450 and their interactions with xenobiotics

      JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
    20. Zhang, WJ; Xu, L
      Selection for variables in quantitative structure-activity/property relationship studies - Comparison between methods of orthogonal descriptors and leaps-and-bounds regression analysis

      CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
    21. Campos, J; Nunez, MD; Rodriguez, V; Entrena, A; Hernandez-Alcoceba, R; Fernandez, F; Lacal, JC; Gallo, MA; Espinosa, A
      LUMO energy of model compounds of bispyridinium compounds as an index for the inhibition of choline kinase

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    22. Seward, JR; Sinks, GD; Schultz, TW
      Reproducibility of toxicity across mode of toxic action in the Tetrahymenapopulation growth impairment assay

      AQUATIC TOXICOLOGY
    23. Li, LC; Maoshuang; Zhao, KQ; Tian, AM
      Semi-empirical quantum chemical study on structure-activity relationship in monocyclic-beta-lactam antibiotics

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    24. Toropov, AA; Toropova, AP
      Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    25. Liu, XH; Wu, CD; Han, SK; Wang, LS; Zhang, Z
      The acute toxicity of alpha-branched phenylsulfonyl acetates in Photobacterium phosphoreum test

      ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
    26. Wang, XD; Sun, C; Gao, SX; Wang, LS; Han, SK
      Validation of germination rate and root elongation as indicator to assess phytotoxicity with Cucumis sativus

      CHEMOSPHERE
    27. Sabljic, A
      QSAR models for estimating properties of persistent organic pollutants required in evaluation of their environmental fate and risk

      CHEMOSPHERE
    28. Mghazli, S; Jaouad, A; Mansour, M; Villemin, D; Cherqaoui, D
      Neural networks studies: quantitative structure-activity relationships of antifungal 1-[2-(substituted phenyl)allyl]imidazoles and related compounds

      CHEMOSPHERE
    29. Wang, QM; Huang, RQ
      Synthesis and biological activity of novel N '-tert-butyl-N '-substituted benzoyl-N-(substituted phenyl)aminocarbonylhydrazines and their derivatives

      TETRAHEDRON LETTERS
    30. Huang, RQ; Wang, QM
      Synthesis, spectroscopy and biological activity of novel acylhydrazines containing ferrocenyl moiety

      JOURNAL OF ORGANOMETALLIC CHEMISTRY
    31. Huang, YS; Luedtke, RR; Freeman, RA; Wu, L; Mach, RH
      Synthesis and structure-activity relationships of naphthamides as dopamineD-3 receptor ligands

      JOURNAL OF MEDICINAL CHEMISTRY
    32. Tomic, S; Wade, RC
      COMBINE analysis of nuclear receptor-DNA binding specificity: Comparison of two sets of data

      CROATICA CHEMICA ACTA
    33. Li, SZ; Fu, BH; Wang, YQ; Liu, SS
      On structural parameterization and molecular modeling of peptide analoguesby molecular electronegativity edge vector (VMEE): Estimation and prediction for biological activity of dipeptides

      JOURNAL OF THE CHINESE CHEMICAL SOCIETY
    34. Liu, SS; Yin, CS; Cai, SX; Li, ZL
      A novel MHDV descriptor for dipeptide QSAR studies

      JOURNAL OF THE CHINESE CHEMICAL SOCIETY
    35. Hansch, C; Kurup, A; Garg, R; Gao, H
      Chem-bioinformatics and QSAR: A review of QSAR lacking positive hydrophobic terms

      CHEMICAL REVIEWS
    36. Mavel, S; Renou, JL; Galtier, C; Snoeck, R; Andrei, G; Balzarini, J; De Clercq, E; Gueiffier, A
      Synthesis of imidazo[1,2-a] pyridine derivatives as antiviral agents

      ARZNEIMITTEL-FORSCHUNG-DRUG RESEARCH
    37. Escuder-Gilabert, L; Martin-Biosca, Y; Sagrado, S; Villanueva-Camanas, RM; Medina-Hernandez, MJ
      Biopartitioning micellar chromatography to predict ecotoxicity

      ANALYTICA CHIMICA ACTA
    38. Jalali-Heravi, M; Garkani-Nejad, Z
      Prediction of electrophoretic mobilities of sulfonamides in capillary zoneelectrophoresis using artificial neural networks

      JOURNAL OF CHROMATOGRAPHY A
    39. Gupta, SP
      Quantitative structure-activity relationships of antianginal drugs

      PROGRESS IN DRUG RESEARCH, VOL 56
    40. Jalali-Heravi, M; Konouz, E
      Prediction of critical micelle concentration of some anionic surfactants using multiple regression techniques: A quantitative structure-activity relationship study

      JOURNAL OF SURFACTANTS AND DETERGENTS
    41. Pandey, RK
      Recent advances in photodynamic therapy

      JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
    42. Zoete, V; Vezin, H; Bailly, F; Vergoten, G; Catteau, JP; Bernier, JL
      4-mercaptoimidazoles derived from the naturally occurring antioxidant ovothiols 2. Computational and experimental approach of the radical scavenging mechanism

      FREE RADICAL RESEARCH
    43. Ali, HM; Zidan, ZH
      Synthesis and quantitative structure-activity relationships of phosphoramidates and phosphorodiamidates incorporating amino acid esters

      PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
    44. Wang, XY; Song, H
      Quantitative prediction of substituted products based on quantum-chemical parameters and neural network method

      CHINESE JOURNAL OF CHEMISTRY
    45. Vaid, TP; Lewis, NS
      The use of 'electronic nose' sensor responses to predict the inhibition activity of alcohols on the cytochrome P-450 catalyzed p-hydroxylation of aniline

      BIOORGANIC & MEDICINAL CHEMISTRY
    46. Nakagawa, Y; Wheelock, CE; Morisseau, C; Goodrow, MH; Hammock, BG; Hammock, BD
      3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH)by benzoylureas, arylureas, and their analogues

      BIOORGANIC & MEDICINAL CHEMISTRY
    47. Wurtz, JM; Guillot, B; Fagart, J; Moras, D; Tietjen, K; Schindler, M
      A new model for 20-hydroxyecdysone and dibenzoylhydrazine binding: A homology modeling and docking approach

      PROTEIN SCIENCE
    48. Stanton, JL; Cahill, E; Dotson, R; Tan, J; Tomaselli, HC; Wasvary, JM; Stephan, ZF; Steele, RE
      Synthesis and biological activity of phenoxyphenyl oxamic acid derivativesrelated to L-thyronine

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    49. Eric, S; Agbaba, D; Vladimirov, S; Zivanov-Stakic, D
      The retention behavior of several semisynthetic cephalosporins in planar chromatography

      JPC-JOURNAL OF PLANAR CHROMATOGRAPHY-MODERN TLC
    50. Seward, K; Sinks, G; Schultz, TW
      Population growth kinetics of Tetrahymena pyriformis exposed to selected pyridines

      EUROPEAN JOURNAL OF PROTISTOLOGY
    51. Chuman, H; Goto, S; Karasawa, M; Sasaki, M; Nagashima, U; Nishimura, K; Fujita, T
      Three-dimensional structure-activity relationships of synthetic pyrethroids: 2. Three-dimensional and classical QSAR studies

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    52. Schultz, TW; Seward, JR
      Dimyristoyl phosphatidylcholine/water partitioning-dependent modeling of narcotic toxicity to Tetrahymena pyriformis

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    53. Chicu, SA; Herrmann, K; Berking, S
      An approach to calculate the toxicity of simple organic molecules on the basis of QSAR analysis in Hydractinia echinata (Hydrozoa, Cnidaria)

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    54. Jalali-Heravi, M; Konouz, E
      Use of quantitative structure activity relationships in prediction of CMC of nonionic surfactants

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    55. Chuman, H; Goto, S; Karasawa, M; Sasaki, M; Nagashima, U; Nishimura, K; Fujita, T
      Three-dimensional structure-activity relationships of synthetic pyrethroids: 1. Similarity in bioactive conformations and their structure-activity pattern

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    56. Lemmen, C; Lengauer, T
      Computational methods for the structural alignment of molecules

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    57. Katritzky, AR; Chen, K; Wang, YL; Karelson, M; Lucic, B; Trinajstic, N; Suzuki, T; Schuurmann, G
      Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    58. Zoete, V; Maglia, F; Rougee, M; Bensasson, RV
      Mechanism of action in a 4,5-diarylpyrrole series of selective cyclo-oxygenase-2 inhibitors

      FREE RADICAL BIOLOGY AND MEDICINE
    59. Andersson, PL; van der Burght, ASAM; van den Berg, M; Tysklind, M
      Multivariate modeling of polychlorinated biphenyl-induced CYP1A activity in hepatocytes from three different species: Ranking scales and species differences

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    60. Klopman, G; Saiakhov, R; Rosenkranz, HS
      Multiple computer-automated structure evaluation study of aquatic toxicityII. Fathead minnow

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    61. Netzeva, T; Doytchinova, I; Natcheva, R
      2D and 3D QSAR analysis of some valproic acid metabolites and analogues asanticonvulsant agents

      PHARMACEUTICAL RESEARCH
    62. Vaal, MA; Van Leeuwen, CJ; Hoekstra, JA; Hermens, JLM
      Variation in sensitivity of aquatic species to toxicants: Practical consequences for effect assessment of chemical substances

      ENVIRONMENTAL MANAGEMENT
    63. Hau, KM; Connell, DM; Richardson, BJ
      Use of partition models to evaluate guidelines for mixtures of volatile organic compounds

      REGULATORY TOXICOLOGY AND PHARMACOLOGY
    64. Hau, KM; Connell, DW; Richardson, BJ
      Use of partition models in setting health guidelines for volatile organic compounds

      REGULATORY TOXICOLOGY AND PHARMACOLOGY
    65. Abe, T; Saito, H; Niikura, V; Shigeoka, T; Nakano, Y
      Embryonic development assay with Daphnia magna: application to toxicity ofchlorophenols

      WATER SCIENCE AND TECHNOLOGY
    66. Gerner, I; Zinke, S; Graetschel, G; Schlede, E
      Development of a decision support system for the introduction of alternative methods into local irritancy/corrosivity testing strategies. Creation offundamental rules for a decision support system

      ATLA-ALTERNATIVES TO LABORATORY ANIMALS
    67. Agrawal, VK; Bano, S; Mathur, KC; Khadikar, P
      Novel application of Wiener vis-a-vis Szeged indices: Antitubercular activities of quinolones

      PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES
    68. Bursi, R; Groen, MB
      Application of (quantitative) structure-activity relationships to progestagens: from serendipity to structure-based design

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    69. Kellogg, GE; Abraham, DJ
      Hydrophobicity: is LogP(o/w) more than the sum of its parts?

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    70. Waisser, K; Gregor, J; Kubicova, L; Klimesova, V; Kunes, J; Machacek, M; Kaustova, J
      New groups of antimycobacterial agents: 6-chloro-3-phenyl-4-thioxo-2H-1,3-benzoxazine-2(3H)-ones and 6-chloro-3-phenyl-2H-1,3-benzoxazine-2,4(3H)-dithiones

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    71. Alsberg, BK; Marchand-Geneste, N; King, RD
      A new 3D molecular structure representation using quantum topology with application to structure-property relationships

      CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
    72. Edmondson, DE; Bhattacharrya, AK; Xu, JJ
      Evidence for alternative binding modes in the interaction of benzylamine analogues with bovine liver monoamine oxidase B

      BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY
    73. Yuan, H; Parrill, AL
      QSAR development to describe HIV-1 integrase inhibition

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    74. Clare, BW
      The frontier orbital phase angles: a theoretical interpretation

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    75. Krop, HB; Cheung, CL; Govers, HAJ
      Correlation between the experimental and calculated (COSMO-AM1) activationfree enthalpy of the hydroxide-induced elimination reaction of small haloalkanes in water

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    76. Tomas-Vert, F; Perez-Gimenez, F; Salabert-Salvador, MT; Garcia-March, FJ; Jaen-Oltra, J
      Artificial neural network applied to the discrimination of antibacterial activity by topological methods

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    77. Timofei, S; Schmidt, W; Kurunczi, L; Simon, Z
      A review of QSAR for dye affinity for cellulose fibres

      DYES AND PIGMENTS
    78. Roberts, DW; Basketter, DA
      Quantitative structure-activity relationships: sulfonate esters in the local lymph node assay

      CONTACT DERMATITIS
    79. Schultz, TW; Seward, JR
      Health-effects related structure-toxicity relationships: a paradigm for the first decade of the new millennium

      SCIENCE OF THE TOTAL ENVIRONMENT
    80. Verhaar, HJM; Solbe, J; Speksnijder, J; van Leeuwen, CJ; Hermens, JLM
      Classifying environmental pollutants: Part 3. External validation of the classification system

      CHEMOSPHERE
    81. Ruelle, P
      The n-octanol and n-hexane/water partition coefficient of environmentally relevant chemicals predicted from the mobile order and disorder (MOD) thermodynamics

      CHEMOSPHERE
    82. Nakagawa, Y; Minakuchi, C; Ueno, T
      Inhibition of [H-3]ponasterone A binding by ecdysone agonists in the intact Sf-9 cell line

      STEROIDS
    83. Nakagawa, Y; Hattori, K; Minakuchi, C; Kugimiya, S; Ueno, T
      Relationships between structure and molting hormonal activity of tebufenozide, methoxyfenozide, and their analogs in cultured integument system of Chilo suppressalis Walker

      STEROIDS
    84. Bender, W; Staudt, M; Trankle, C; Mohr, K; Holzgrabe, U
      Probing the size of a hydrophobic binding pocket within the allosteric site of muscarinic acetylcholine M-2-receptors

      LIFE SCIENCES
    85. Ghafourian, T; Dearden, JC
      The use of atomic charges and orbital energies as hydrogen-bonding-donor parameters for QSAR studies: Comparison of MNDO, AM1 and PM13 methods

      JOURNAL OF PHARMACY AND PHARMACOLOGY
    86. Yamagami, C; Fujita, T
      Hydrophobicity parameter of diazines IV: A new hydrogen-accepting parameter of monosubstituted (di)azines for the relationship of partition coefficients in different solvent systems

      JOURNAL OF PHARMACEUTICAL SCIENCES
    87. Yamamoto, T; Hori, M; Watanabe, I; Harada, K; Ikeda, S; Ohtaka, H
      Quantitative structure-activity relationship study of N-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl)guanidines as potent Na/H exchange inhibitors

      CHEMICAL & PHARMACEUTICAL BULLETIN
    88. Yamagami, C; Haraguchi, M
      Hydrophobicity parameters determined by reversed-phase liquid chromatography. XIV. Application of a new hydrogen-accepting scale of monosubstituted pyrazines to analysis of the relationship between octanol-water partition coefficients and retention factors measured in different mobile phases

      CHEMICAL & PHARMACEUTICAL BULLETIN
    89. Dove, S; Michel, MC; Knieps, S; Buschauer, A
      Pharmacology and quantitative structure-activity relationships of imidazolylpropylguanidines with mepyramine-like substructures as non-peptide neuropeptide YY1 receptor antagonists

      CANADIAN JOURNAL OF PHYSIOLOGY AND PHARMACOLOGY
    90. Detroyer, A; Schoonjans, V; Questier, F; Vander Heyden, Y; Borosy, AP; Guo, Q; Massart, DL
      Exploratory chemometric analysis of the classification of pharmaceutical substances based on chromatographic data

      JOURNAL OF CHROMATOGRAPHY A
    91. Jalali-Heravi, M; Fatemi, MH
      Prediction of thermal conductivity detection response factors using an artificial neural network

      JOURNAL OF CHROMATOGRAPHY A
    92. Gupta, SP
      Quantitative structure-activity relationships of cardiotonic agents

      PROGRESS IN DRUG RESEARCH, VOL 55
    93. Singh, P; Kumar, R
      1,2-diarylimidazoles as inhibitors of cyclooxygenase-2: A quantitative structure-activity relationship study

      JOURNAL OF ENZYME INHIBITION
    94. Gupta, SP; Babu, MS; Kaw, N
      Quantitative structure-activity relationships of some HIV-protease inhibitors

      JOURNAL OF ENZYME INHIBITION
    95. Hau, KM; Connell, DW; Richardson, BJ
      Mechanism of acute inhalation toxicity of alkanes and aliphatic alcohols

      ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY
    96. Singh, AK
      Quantitative structure-activity relationships for phosphoramidothioate toxicity in housefly

      COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY C-PHARMACOLOGY TOXICOLOGY & ENDOCRINOLOGY
    97. Hau, KM; Connell, DW; Richardson, BJ
      Quantitative structure-activity relationships for nasal pungency thresholds of volatile organic compounds

      TOXICOLOGICAL SCIENCES
    98. Soffers, AEMF; van Haandel, MJH; Boersma, MG; Tyrakowska, B; Laane, C; Rietjens, IMCM
      Antioxidant activities of carotenoids: Quantitative relationships between theoretical calculations and experimental literature data

      FREE RADICAL RESEARCH
    99. Robert, D; Carbo-Dorca, R
      Aromatic compounds aquatic toxicity QSAR using molecular quantum similarity measures

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    100. Gute, BD; Grunwald, GD; Basak, SC
      Prediction of the dermal penetration of polycyclic aromatic hydrocarbons (PAHs): A hierarchical QSAR approach

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH


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Documento generato il 27/05/20 alle ore 09:36:37