MIA-QSTR study of different organic compounds to Pimephales promelas

Medicinal Chemistry Research

Volumn 18, Issue 8, 2009, Pages 648-655

  Freitas, Matheus P ^a  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

MIA QSTR; Organic compounds; Phimephales promelas; Toxicity

Indexed keywords

1,1,2 TRICHLOROETHANE; 1,2 DICHLOROETHANE; 1,2 DICHLOROPROPANE; 2 DECANONE; 2 OCTANONE; 5 NONANONE; ACENAPHTHENE; BENZENE; BENZOPHENONE; CARBON TETRACHLORIDE; DECANOL; DI N BUTYLETHER; DI N PENTYLETHER; DICHLOROMETHANE; FURAN; HEPTACHLOR; HEXACHLOROETHANE; LAURYL ALCOHOL; NAPHTHALENE; NONANOL; OCTANOL; ORGANIC COMPOUND; PENTACHLOROETHANE; TETRACHLOROETHANE; TETRACHLOROETHYLENE; TOLUENE; TRICHLOROETHYLENE; UNCLASSIFIED DRUG; UNDECANOL; UNINDEXED DRUG; VINYLIDENE CHLORIDE;

ANIMAL EXPERIMENT; ARTICLE; CALIBRATION; CHEMICAL STRUCTURE; IMAGE ANALYSIS; LC 50; NONHUMAN; PIMEPHALES PROMELAS; PREDICTION; QUANTITATIVE STRUCTURE TOXICITY RELATIONSHIP; TOXICITY; TOXICITY TESTING;

EID: 70449532475     PISSN: 10542523     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00044-008-9156-6     Document Type: Article

References (16)

1. SP Bradbury RL Lipnick 1990 Introduction: structural properties for determining mechanisms of toxic action Environ Health Perspect 87 181 182
2. Broto P, Devillers J (1990) Autocorrelation of properties distributed on molecular graphs. In: Karcher W, Devillers J (eds) Practical applications of Quantitative Structure-Activity Relationships (QSAR) in environmental chemistry and toxicology. Kluwer Academic, London, p 105
3. RD Cramer III DE Patterson JD Bunce 1988 Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins J Am Chem Soc 110 5959 5967 10.1021/ja00226a005 10.1021/ja00226a005 1:CAS:528:DyaL1cXltVCqsbs%3D (Pubitemid 18213690)
4. Environmental Protection Agency (EPA) (1976) Acute toxicity of selected organic compounds to fathead minnow, EPA number 600376097
5. NB Franks WR Lieb 1990 Mechanisms of general anesthesia Environ Health Perspect 87 199 205 10.2307/3431025 10.2307/3431025 1:CAS:528: DyaK3MXjsFanug%3D%3D 2269226
6. MP Freitas 2006 MIA-QSAR modelling of anti-HIV-1 activities of some 2-amino-6-arylsulfonylbenzonitriles and their thio and sulfinyl congeners Org Biomol Chem 4 1154 1159 10.1039/b516396j 10.1039/b516396j 1:CAS:528: DC%2BD28XitFSjur4%3D 16525561 (Pubitemid 43383363)
7. MP Freitas 2007 Multivariate QSAR: from classical descriptors to new perspectives Curr Comput-Aid Drug Des 3 235 239 10.2174/157340907782799408 10.2174/157340907782799408 1:CAS:528:DC%2BD1cXitVSqt7g%3D (Pubitemid 350268170)
8. MP Freitas SD Brown JA Martins 2005 MIA-QSAR: a simple 2D image-based approach for quantitative structure-activity relationship analysis J Mol Struct 738 149 154 10.1016/j.molstruc.2004.11.065 10.1016/j.molstruc.2004.11.065 1:CAS:528:DC%2BD2MXhs12lsbg%3D (Pubitemid 40311913)
9. A Golbraikh A Tropsha 2002 Beware of q2! J Mol Graph Model 20 269 276 10.1016/S1093-3263(01)00123-1 10.1016/S1093-3263(01)00123-1 1:CAS:528: DC%2BD3MXpt1art7o%3D 11858635 (Pubitemid 34017544)
10. C Hansch T Fujita 1964 ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure J Am Chem Soc 86 1616 1626 10.1021/ja01062a035 10.1021/ja01062a035 1:CAS:528:DyaF2cXptF2gsQ%3D%3D
11. C-P Huang Y-J Wang C-Y Chen 2007 Toxicity and quantitative structure-activity relationships of nitriles based on Pseudokirchneriella subcapitata Ecotoxicol Environ Saf 67 439 446 10.1016/j.ecoenv.2006.06.007 10.1016/j.ecoenv.2006.06.007 1:CAS:528:DC%2BD2sXmtVOktro%3D 16875732 (Pubitemid 46836728)
12. BM Katz GM Cohen 1976 Toxicities of "excessively" chlorinated organic compounds Bull Environ Contam Toxicol 15 644 650 10.1007/BF01685612 10.1007/BF01685612 1:CAS:528:DyaE28XltVCrsrw%3D 947215
13. G Klebe U Abraham T Mietzner 1994 Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of drug molecules to correlate and predict their biological activity J Med Chem 37 4130 4146 10.1021/jm00050a010 10.1021/jm00050a010 1:CAS:528:DyaK2cXmslWhu7Y%3D 7990113 (Pubitemid 24379702)
14. F Tian P Zhou Z Li 2007 A novel atom-pair hologram (APH) and its application in peptide QSARs J Mol Struct 871 140 148 10.1016/j.molstruc.2007. 02.012 10.1016/j.molstruc.2007.02.012 1:CAS:528:DC%2BD2sXhtlWms7bL (Pubitemid 350060918)
15. Todeschini R, Consonni V (2000) Methods and principles in medicinal chemistry. In: Mannhold R, Kubinyi H, Timmerman H (eds) Handbook of molecular descriptors. Wiley-VCH, Weinheim, p 667
16. Wold H (1966) Estimation of principal components and related models by iterative least squares. In: Krishnaiah KR (ed) Multivariate analysis. Academic, New York, p 391