Catalogo Articoli (Spogli Riviste)

HELP
ATTENZIONE: attualmente gli articoli Current Contents (fonte ISI) a partire dall'anno 2002 sono consultabili sulla Risorsa On-Line

Le informazioni sugli articoli di fonte ISI sono coperte da copyright

La ricerca find articoli where soggetti phrase all words '(QSAR)' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 1110 riferimenti
Si mostrano 100 riferimenti a partire da 1
Selezionare un intervallo

Per ulteriori informazioni selezionare i riferimenti di interesse.

    1. Mekapati, SB; Sivakumar, R; Gupta, SP
      Quantitative structure-activity relationship of some HIV-1 protease inhibitors: A Fujita-Ban type analysis

      JOURNAL OF ENZYME INHIBITION
    2. Casini, A; Mincione, F; Ilies, MA; Menabuoni, L; Scozzafava, A; Supuran, CT
      Carbonic anhydrase inhibitors: Synthesis and inhibition against isozymes I, II and IV of topically acting antiglaucoma sulfonamides incorporating cis-5-norbornene-endo-3-carboxy-2-carboxamido moieties

      JOURNAL OF ENZYME INHIBITION
    3. Yin, CS; Liu, W; Li, ZL; Pan, ZX; Lin, T; Zhang, MS
      Chemometrics to chemical modeling: Structural coding in hydrocarbons and retention indices of gas chromatography

      JOURNAL OF SEPARATION SCIENCE
    4. Zhu, LL; Hou, TJ; Xu, XJ
      Three-dimensional quantitative structure-activity relationship study on paullones as CDK inhibitors using CoMSIA and CoMFA

      JOURNAL OF MOLECULAR MODELING
    5. Kuz'min, VE; Ognichenko, LN; Artemenko, AG
      Modeling of the informational field of molecules

      JOURNAL OF MOLECULAR MODELING
    6. Tueros, M; Castro, EA; Toropov, AA
      Maximum topological distance-based indices as molecular descriptors for QSPR. 3 - Calculation of the hydrophobicity of polyaromatic hydrocarbons

      JOURNAL OF MOLECULAR MODELING
    7. Mercader, A; Castro, EA; Toropov, AA
      Calculation of total molecular electronic energies from correlation weighting of local graph invariants

      JOURNAL OF MOLECULAR MODELING
    8. Nakagawa, Y; Smagghe, G; Van Paemel, M; Tirry, L; Fujita, T
      Quantitative structure-activity studies of insect growth regulators: XVIII. Effects of substituents on the aromatic moiety of dibenzoylhydrazines on larvicidal activity against the Colorado potato beetle Leptinotarsa decemlineata

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

      PEST MANAGEMENT SCIENCE
    10. Berger, BM; Muller, M; Eing, A
      Quantitative structure-transformation relationships of phenylurea herbicides

      PEST MANAGEMENT SCIENCE
    11. Sparks, TC; Crouse, GD; Durst, G
      Natural products as insecticides: the biology, biochemistry, and quantitative structure-activity relationships of spinosyns and spinosoids

      PEST MANAGEMENT SCIENCE
    12. Schultz, TW; Sinks, GD; Miller, LA
      Population growth impairment of sulfur-containing compounds to Tetrahymenapyriformis

      ENVIRONMENTAL TOXICOLOGY
    13. Rajendran, T; Thanasekaran, P; Rajagopal, S; Gnanaraj, GA; Srinivasan, C; Ramamurthy, P; Venkatachalapathy, B; Manimaran, B; Lu, KL
      Steric effects in the photoinduced electron transfer reactions of ruthenium(II)-polypyridine complexes with 2,6-disubstituted phenolate ions

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    14. Moosmann, B; Skutella, T; Beyer, K; Behl, C
      Protective activity of aromatic amines and imines against oxidative nerve cell death

      BIOLOGICAL CHEMISTRY
    15. Strom, MB; Rekdal, O; Stensen, W; Svendsen, JS
      Increased antibacterial activity of 15-residue murine lactoferricin derivatives

      JOURNAL OF PEPTIDE RESEARCH
    16. Matter, H; Baringhaus, KH; Naumann, T; Klabunde, T; Pirard, B
      Computational approaches towards the rational design of drug-like compoundlibraries

      COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
    17. Glende, C; Schmitt, H; Erdinger, L; Engelhardt, G; Boche, G
      Transformation of mutagenic aromatic amines into non-mutagenic species by alkyl substituents Part I. Alkylation ortho to the amino function

      MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS
    18. Bonin, AM; Banks, TM; Campbell, JJ; Glover, SA; Hammond, GP; Prakash, AS; Rowbottom, CA
      Mutagenicity of electrophilic N-acyloxy-N-alkoxyamides

      MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS
    19. Cash, GG
      Prediction of the genotoxicity of aromatic and heteroaromatic amines usingelectrotopological state indices

      MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS
    20. Priolo, N; Arribere, CM; Caffini, N; Barberis, S; Vazquez, RN; Luco, JM
      Isolation and purification of cysteine peptidases from the latex of Araujia hortorum fruits - Study of their esterase activities using partial least-squares (PLS) modeling

      JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
    21. Rodrigues, AD; Lin, JH
      Screening of drug candidates for their drug-drug interaction potential

      CURRENT OPINION IN CHEMICAL BIOLOGY
    22. Terfloth, L; Gasteiger, J
      Neural networks and genetic algorithms in drug design

      DRUG DISCOVERY TODAY

    23. Bissulfonamides as inhibitors of the dehydroquinate synthetase enzyme AroBand of the type II dehydroquinase enzyme AroQ

      EXPERT OPINION ON THERAPEUTIC PATENTS
    24. Pompe, M; Veber, M
      Prediction of rate constants for the reaction of O-3 with different organic compounds

      ATMOSPHERIC ENVIRONMENT
    25. Thiemann, T; Watanabe, M; Mataka, S
      Areno-annelated estra-1,3,5(10),6,8,11,14,16-octaenes

      NEW JOURNAL OF CHEMISTRY
    26. Kulkarni, A; Hopfinger, AJ; Osborne, R; Bruner, LH; Thompson, ED
      Prediction of eye irritation from organic chemicals using membrane-interaction QSAR analysis

      TOXICOLOGICAL SCIENCES
    27. Veselovsky, AV; Tikhonova, OV; Skvortsov, VS; Medvedev, AE; Ivanov, AS
      An approach for visualization of the active site of enzymes with unknown three-dimensional structures

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    28. Raevsky, OA
      Molecular lipophilicity calculations of chemically heterogeneous chemicalsand drugs on the basis of structural similarity and physicochemical parameters

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    29. Baskin, II; Halberstam, NM; Mukhina, TV; Palyulin, VA; Zefirov, NS
      The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networks

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    30. Katritzky, AR; Jain, R; Petrukhin, R; Denisenko, S; Schelenz, T
      QSAR correlations of the algistatic activity of 5-amino-1-aryl-1H-tetrazoles

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    31. Devillers, J
      A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    32. Spassova, DP; Singh, AK
      QSAR for acetylcholinesterase inhibition and toxicity of two classes of phosphoramidothioates

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    33. Bruggemann, R; Pudenz, S; Carlsen, L; Sorensen, PB; Thomsen, M; Mishra, RK
      The use of Hasse diagrams as a potential approach for inverse QSAR

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    34. Ekins, S; Wrighton, SA
      Application of in silico approaches to predicting drug-drug interactions

      JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS
    35. Garg, R; Kurup, A; Hansch, C
      Comparative QSAR: On the toxicology of the phenolic OH moiety

      CRITICAL REVIEWS IN TOXICOLOGY
    36. 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
    37. Wilson, AA; Jin, L; Garcia, A; DaSilva, JN; Houle, S
      An admonition when measuring the lipophilicity of radiotracers using counting techniques

      APPLIED RADIATION AND ISOTOPES
    38. Supuran, CT; Briganti, F; Tilli, S; Chegwidden, WR; Scozzafava, A
      Carbonic anhydrase inhibitors: Sulfonamides as antitumor agents?

      BIOORGANIC & MEDICINAL CHEMISTRY
    39. Sakamuri, S; Enyedy, IJ; Kozikowski, AP; Zaman, WA; Johnson, KM; Wang, SM
      Pharmacophore-based discovery, synthesis, and biological evaluation of 4-phenyl-1-arylalkyl piperidines as dopamine transporter inhibitors

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    40. Kayser, O; Kiderlen, AF
      In vitro leishmanicidal activity of naturally occurring chalcones

      PHYTOTHERAPY RESEARCH
    41. Vedani, A; Dobler, M
      Internet laboratory for predicting harmful effects triggered by drugs and chemicals. Concept and call for co-operation

      ALTEX-ALTERNATIVEN ZU TIEREXPERIMENTEN
    42. Czerminski, R; Yasri, A; Hartsough, D
      Use of Support Vector Machine in pattern classification: Application to QSAR studies

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    43. Doytchinova, I; Valkova, I; Natcheva, R
      CoMFA study on adenosine A(2A) receptor agonists

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    44. Pajeva, IK; Wiese, M
      Human P-glycoprotein pseudoreceptor modeling: 3D-QSAR study on thioxanthene type multidrug resistance modulators

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    45. Bassoli, A; Drew, MGB; Hattotuwagama, CK; Merlini, L; Morini, G; Wilden, GRW
      Quantitative structure-activity relationships of sweet isovanillyl derivatives

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    46. Dimoglo, AS; Shvets, NM; Tetko, IV; Livingstone, DJ
      Electronic-topologic investigation of the structure-acetylcholinesterase inhibitor activity relationship in the series of N-benzylpiperidine derivatives

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    47. Schaper, KJ; Zhang, HB; Raevsky, OA
      pH-dependent partitioning of acidic and basic drugs into liposomes - A quantitative structure-activity relationship analysis

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    48. Streich, D; Neuburger-Zehnder, M; Vedani, A
      Induced fit - The key for understanding LSD activity? A 4D-QSAR study on the 5-HT2A receptor system

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    49. Davis, AM; Salt, DW; Webborn, PJH
      Induced correlations in the use of unbound/intrinsic pharmacokinetic parameters in quantitative structure-pharmacokinetic relationships with lipophilicity

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    50. Nendza, M; Muller, M
      Discriminating toxicant classes by mode of action: 2. Physico-chemical descriptors

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    51. de Oliveira, DB; Gaudio, AC
      BuildQSAR: A new computer program for QSAR analysis

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    52. So, SS; Karplus, M
      Evaluation of designed ligands by a multiple screening method: Applicationto glycogen phosphorylase inhibitors constructed with a variety of approaches

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    53. Beger, RD; Wilkes, JG
      Developing C-13 NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroid binding to the corticosteroid binding globulin

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    54. Sippl, W; Contreras, JM; Parrot, I; Rival, YM; Wermuth, CG
      Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    55. Klamt, A; Eckert, F; Hornig, M
      COSMO-RS: A novel view to physiological solvation and partition questions

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    56. Kim, KH
      Thermodynamic aspects of hydrophobicity and biological QSAR

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    57. Tonder, JE; Olesen, PH; Hansen, JB; Begtrup, M; Pettersson, I
      An improved nicotinic pharmacophore and a stereoselective CoMFA-model for nicotinic agonists acting at the central nicotinic acetylcholine receptors labelled by [H-3]-N-methylcarbamylcholine

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    58. Santos, OA; Hopfinger, AJ
      A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    59. Doytchinova, I
      CoMFA-based comparison of two models of binding site on adenosine A(1) receptor

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    60. Lee, KW; Briggs, JM
      Comparative molecular field analysis (CoMFA) study of epothilones-tubulin depolymerization inhibitors: Pharmacophore development using 3D QSAR methods

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    61. Melani, F; Gratteri, P; Adamo, M; Bonaccini, C
      FILO (Field Interaction Ligand Optimization): A simplex strategy for searching the optimal ligand interaction field in drug design

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    62. 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
    63. Yourtee, D; Holder, AJ; Smith, R; Morrill, JA; Kostoryz, E; Brockmann, W; Glaros, A; Chappelow, C; Eick, D
      Quantum mechanical quantitative structure activity relationships to avoid mutagenicity in dental monomers

      JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION
    64. Cronin, MTD; Schultz, TW
      Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: Comparative assessmentof the methodologies

      CHEMICAL RESEARCH IN TOXICOLOGY
    65. Cronin, MTD; Manga, N; Seward, JR; Sinks, GD; Schultz, TW
      Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds

      CHEMICAL RESEARCH IN TOXICOLOGY
    66. Martin, TM; Young, DM
      Prediction of the acute toxicity (96-h LC50) of organic compounds to the fathead minnow (Pimephales promelas) using a group contribution method

      CHEMICAL RESEARCH IN TOXICOLOGY
    67. Lemanska, K; Szymusiak, H; Tyrakowska, B; Zielinski, R; Soffers, AEMF; Rietjens, IMCM
      The influence of pH on antioxidant properties and the mechanism of antioxidant action of hydroxyflavones

      FREE RADICAL BIOLOGY AND MEDICINE
    68. Galatin, PS; Abraham, DJ
      QSAR: Hydropathic analysis of inhibitors of the p53-mdm2 interaction

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    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

      TOXICOLOGY IN VITRO
    70. Geiss, KT; Frazier, JM
      QSAR modeling of oxidative stress in vitro following hepatocyte exposures to halogenated methanes

      TOXICOLOGY IN VITRO
    71. Andersson, PM; Sjostrom, M; Wold, S; Lundstedt, T
      Strategies for subset selection of parts of an in-house chemical library

      JOURNAL OF CHEMOMETRICS
    72. Varnek, A; Wipff, G; Solovev, VP
      Towards an information system on solvent extraction

      SOLVENT EXTRACTION AND ION EXCHANGE
    73. Singh, AK
      Development of quantitative structure-activity relationship (QSAR) models for predicting risk of exposure from carcinogens in animals

      CANCER INVESTIGATION
    74. Singh, AK
      Development of QSAR models to predict estrogenic, carcinogenic, and cancerprotective effects of phytoestrogens

      CANCER INVESTIGATION
    75. Agatonovic-Kustrin, S; Beresford, R; Pauzi, A; Yusof, M
      ANN modeling of the penetration across a polydimethylsiloxane membrane from theoretically derived molecular descriptors

      JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
    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
    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
    78. Huuskonen, J
      Estimation of water solubility from atom-type electrotopological state indices

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    79. Zhu, LL; Hou, TJ; Chen, LR; Xu, XJ
      Pharmacophore model analysis of novel tyrphostins

      ACTA CHIMICA SINICA
    80. Cheng, YY; Chen, WZ; Liu, P
      A neural computing method for identifying quantitative structure activity relationships

      ACTA CHIMICA SINICA
    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

      ACTA CHIMICA SINICA
    82. Kiriyama, K; Iwaya, K; Kagabu, S; Nishimura, K
      Relationship between insecticidal and nerve activities of an imidacloprid-related nitromethylene compound and its N-alkyl congeners

      JOURNAL OF PESTICIDE SCIENCE
    83. Ghafourian, T; Fooladi, S
      The effect of structural QSAR parameters on skin penetration

      INTERNATIONAL JOURNAL OF PHARMACEUTICS
    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

      ARCHIV DER PHARMAZIE
    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

      JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES
    86. Raymond, JW; Rogers, TN; Shonnard, DR; Kline, AA
      A review of structure-based biodegradation estimation methods

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

      JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
    88. Carbo-Dorca, R; Besalu, E
      Extended Sobolev and Hilbert spaces and approximate stationary solutions for electronic systems within the non-linear Schrodinger equation

      JOURNAL OF MATHEMATICAL CHEMISTRY
    89. Besalu, E; Vera, L
      On the optimal selection of principal components in QSPR studies

      JOURNAL OF MATHEMATICAL CHEMISTRY
    90. Cho, DH; Lee, SK; Kim, BT; No, KT
      Quantitative Structure-Activity Relationship (QSAR) study of new fluorovinyloxyacetamides

      BULLETIN OF THE KOREAN CHEMICAL SOCIETY
    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
    92. Chacon-Garcia, L; Martinez, R
      Cytotoxic activity and QSAR of N,N '-diarylalkanediamides

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    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)

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    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
    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
    96. Girones, X; Robert, D; Carbo-Dorca, R
      TGSA: A molecular superposition program based on topo-geometrical considerations

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    97. Agrafiotis, DK; Lobanov, VS
      Multidimensional scaling of combinatorial libraries without explicit enumeration

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    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
    99. Aberg, KM; Jacobsson, SP
      Pre-processing of three-way data by pulse-coupled neural networks - an imaging approach

      CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
    100. Hou, TJ; Xu, XJ
      Three-dimensional quantitative structure-activity relationship analyses ofa series of cinnamamides

      CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 17/01/21 alle ore 08:37:11