title: Comparative study of four QSAR models of aromatic compounds to aquatic organisms.
abstract: Quantitative structure-activity relationships (QSARs) were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, linear solvation energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy.
authors.affiliation: College of Materials Science and Engineering, Huaqiao University, Quanzhou 362011, China.
authors.forename: Rui-lian
authors.initials: RL
authors.lastname: Yu
authors.forename: Gong-ren
authors.initials: GR
authors.lastname: Hu
authors.forename: Yuan-hui
authors.initials: YH
authors.lastname: Zhao
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry / Q000633:toxicity; D000818:Animals; D002722:Chlorobenzenes / Q000737:chemistry / Q000633:toxicity; D003621:Daphnia / Q000187:drug effects*; D006841:Hydrocarbons, Aromatic / Q000737:chemistry* / Q000633:toxicity*; D010636:Phenols / Q000737:chemistry / Q000633:toxicity; D010776:Photobacterium / Q000187:drug effects*; D021281:Quantitative Structure-Activity Relationship; D014050:Toluene / Q000031:analogs & derivatives / Q000378:metabolism / Q000633:toxicity
chemical_list: D000814:Aniline Compounds; D002722:Chlorobenzenes; D006841:Hydrocarbons, Aromatic; D010636:Phenols; D014050:Toluene; C023650:aniline