QSAR models for predicting the acute toxicity of selected organic chemicals with diverse structures to aquatic non-vertebrates and humans.
暂无分享,去创建一个
P. Geladi | G. Persoone | P Geladi | M C Calleja | G Persoone | M. Calleja
[1] Jim T. Hill. Disposition of Toxic Drugs and Chemicals in Man. Volume 1: Centrally-Acting Drugs , 1981 .
[2] P. Geladi,et al. The Predictive Potential of a Battery of Ecotoxicological Tests for Human Acute Toxicity, as Evaluated with the First 50 MEIC Chemicals , 1993 .
[3] Susan Budavari,et al. The Merck index. An encyclopedia of chemicals and drugs. , 1976 .
[4] Barry J. Wythoff,et al. Backpropagation neural networks , 1993 .
[5] H Ichikawa,et al. Neural networks applied to quantitative structure-activity relationship analysis. , 1990, Journal of medicinal chemistry.
[6] Svante Wold,et al. A Strategy for Ranking Environmentally Occurring Chemicals. Part IV: Development of Chemical Model Systems for Characterization of Halogenated Aliphatic Hydrocarbons , 1991 .
[7] T. Snell,et al. Acute toxicity bioassays using rotifers. II. A freshwater test with Brachionus rubens , 1989 .
[8] B. Kowalski,et al. Partial least-squares regression: a tutorial , 1986 .
[9] Marco Vighi,et al. QSARs for toxicity of organophosphorous pesticides to Daphnia and honeybees , 1991 .
[10] D.R. Hush,et al. Progress in supervised neural networks , 1993, IEEE Signal Processing Magazine.
[11] Svante Wold,et al. A strategy for ranking environmentally occurring chemicals. Part III: Multivariate quantitative structure‐activity relationships for halogenated aliphatics , 1990 .
[12] K Enslein,et al. A QSAR model for the estimation of carcinogenicity: example application to an azo-dye. , 1989, Toxicology letters.
[13] R. Baselt. Analytical procedures for therapeutic drug monitoring and emergency toxicology , 1980 .
[14] C. Winek,et al. Tabulation of therapeutic, toxic, and lethal concentrations of drugs and chemicals in blood. , 1976, Clinical chemistry.
[15] Randall C. Baselt,et al. Disposition of toxic drugs and chemicals in man , 1982 .
[16] Silvia Lanteri,et al. ACE: A non-linear regression model , 1988 .
[17] R. Lipnick. Outliers: their origin and use in the classification of molecular mechanisms of toxicity. , 1991, The Science of the total environment.
[18] Richard P. Lippmann,et al. An introduction to computing with neural nets , 1987 .
[19] H. Spielmann,et al. Correlation between In Vitro Cytotoxicity and Octanol/Water Partition Coefficient of 29 Substances from the MEIC Programme , 1991 .
[20] G. Persoone,et al. Cyst-Based Toxicity Tests. IV. The Potential of Ecotoxicological Tests for the Prediction of Acute Toxicity in Man as Evaluated on the First Ten Chemicals of the MEIC Programme , 1992 .
[21] T. Sawyer,et al. Cytotoxicity of the MEIC test chemicals in primary neurone cultures. , 1993, Toxicology in vitro : an international journal published in association with BIBRA.
[22] Robert C. Weast,et al. Handbook of chemistry and physics : a readyreference book of chemical and physical data , 1972 .
[23] S. Hellberg,et al. Cytotoxicity Evaluation of the First Ten MEIC Chemicals: Acute Lethal Toxicity in Man Predicted by Cytotoxicity in Five Cellular Assays and by Oral LD50 Tests in Rodents , 1989 .
[24] Joop L. M. Hermens,et al. Quantitative structure‐activity relationships in aquatic toxicity studies of chemicals and complex mixtures of chemicals , 1985 .
[25] R. Lipnick. A perspective on quantitative structure‐activity relationships in ecotoxicology , 1985 .
[26] M. A. Hamilton,et al. Trimmed Spearman-Karber Method for Estimating Median Lethal Concentrations in Toxicity Bioassays , 1977 .
[27] A. Leo,et al. Substituent constants for correlation analysis in chemistry and biology , 1979 .
[28] Fredrik Lindgren,et al. QSARs based on statistical design and their use for identifying chemicals for further biological testing , 1990 .
[29] G. Persoone,et al. The influence of solvents on the acute toxicity of some lipophilic chemicals to aquatic invertebrates , 1993 .
[30] T. A. Andrea,et al. Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors. , 1991, Journal of medicinal chemistry.
[31] H. Nelis,et al. Liquid chromatographic determination of efficacy of incorporation of trimethoprim and sulfamethoxazole in brine shrimp (Artemia spp.) used for prophylactic chemotherapy of fish , 1991, Antimicrobial Agents and Chemotherapy.
[32] R. Cramer,et al. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. , 1988, Journal of the American Chemical Society.
[33] D. Lightner,et al. Bioencapsulation of Therapeutic Quantities of the Antibacterial Romet-30 in Nauplii of the Brine Shrimp Artemia and in the Nematode Panagrellus redivivus , 1990 .
[34] G. Dave,et al. Influence of a co-solvent (acetone) and ultrasonication on the acute toxicity of a quaternary amine (Aliquat 336) and an organophosphorus compound (HDEHP) toDaphnia magna , 1981, Bulletin of environmental contamination and toxicology.
[35] Guido Persoone,et al. Comparative acute toxicity of the first 50 Multicentre Evaluation of In Vitro Cytotoxicity chemicals to aquatic non-vertebrates , 1994 .
[36] R. Baselt,et al. A Compendium of Therapeutic and Toxic Concentrations of Toxicologically Significant Drugs in Human Biofluids. , 1977 .
[37] C L Alden,et al. Survey of the QSAR and in vitro approaches for developing non-animal methods to supersede the in vivo LD50 test. , 1990, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
[38] S. Wold,et al. The kernel algorithm for PLS , 1993 .
[39] S. Lias,et al. Ionization Potential and Appearance Potential Measurements, 1971-1981, , 1982 .
[40] L. McCarty. The relationship between aquatic toxicity QSARs and bioconcentration for some organic chemicals , 1986 .
[41] B. W. Clare. Structure-activity correlations for psychotomimetics , 1993 .
[42] S. So,et al. Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors. , 1992, Journal of medicinal chemistry.
[43] S. Wold,et al. The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses , 1984 .
[44] S. Wold,et al. Partial least squares analysis with cross‐validation for the two‐class problem: A Monte Carlo study , 1987 .
[45] W. Klein,et al. Predictive QSAR models for estimating ecotoxic hazard of plant-protecting agents: target and non-target toxicity. , 1991, The Science of the total environment.
[46] A. Rowan,et al. Perspectives on alternatives to current animal testing techniques in preclinical toxicology. , 1985, Annual review of pharmacology and toxicology.
[47] K. Verschueren. Handbook of environmental data on organic chemicals , 1977 .
[48] W. G. Richards,et al. Application of Neural Networks: Quantitative Structure-Activity Relationships of the Derivatives of 2,4-Diamino-5-(substituted-benzyl) pyrimidines as DHFR Inhibitors. , 1993 .
[49] P. Geladi,et al. Human acute toxicity prediction of the first 50 MEIC chemicals by a battery of ecotoxicological tests and physicochemical properties. , 1994, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
[50] Michael Balls,et al. Report and Recommendations of the CAAT 1 /ERGATT 2 Workshop on the Validation of Toxicity Test Procedures 3 , 1990 .
[51] J. Hermens,et al. Structure-activity relationships in toxicology and ecotoxicology: An assessment. , 1987, Toxicology in vitro : an international journal published in association with BIBRA.
[52] Paul Geladi,et al. An example of 2-block predictive partial least-squares regression with simulated data , 1986 .
[53] D. Barceloux,et al. Medical toxicology: Diagnosis and treatment of human poisoning , 1988 .
[54] A. Sabljic,et al. Chemical topology and ecotoxicology. , 1991, The Science of the total environment.
[55] J. Hermens,et al. Electrophiles and acute toxicity to fish. , 1990, Environmental health perspectives.
[56] J. Zupan,et al. Neural networks: A new method for solving chemical problems or just a passing phase? , 1991 .
[57] D. E. Patterson,et al. Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies , 1988 .
[58] R Benigni,et al. Interrelationships among carcinogenicity, mutagenicity, acute toxicity, and chemical structure in a genotoxicity data base. , 1989, Journal of toxicology and environmental health.
[59] M. Schipper,et al. Toxicokinetics of halogenated benzenes in fish: Lethal body burden as a toxicological end point , 1993 .
[60] T. Sato,et al. Correlation of the five test methods to assess chemical toxicity and relation to physical properties. , 1986, Ecotoxicology and environmental safety.
[61] Svante Wold,et al. A strategy for ranking environmentally occurring chemicals: Part II. An illustration with two data sets of chlorinated aliphatics and aliphatic alcohols , 1989 .
[62] L. McCarty,et al. The use of quantitative structure-activity relationships to predict the acute and chronic toxicities of organic chemicals to fish , 1985 .
[63] G D Veith,et al. Structure-activity relationships for screening organic chemicals for potential ecotoxicity effects. , 1984, Drug metabolism reviews.
[64] J. Hermens,et al. Qualitative and quantitative modelling of toxic effects of organophosphorous compounds to fish. , 1991, The Science of the total environment.