کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8851411 | 1618770 | 2018 | 34 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
QSAR models for describing the toxicological eï¬ects of ILs against Candida albicans based on norm indexes
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موضوعات مرتبط
علوم زیستی و بیوفناوری
علوم محیط زیست
شیمی زیست محیطی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: QSAR models for describing the toxicological eï¬ects of ILs against Candida albicans based on norm indexes QSAR models for describing the toxicological eï¬ects of ILs against Candida albicans based on norm indexes](/preview/png/8851411.png)
چکیده انگلیسی
The quantitative structure-activity relationship (QSAR) model is an effective alternative to traditional experimental toxicity testing, which is undoubtedly important for modern environmental risk assessment and property prediction. Based on this background, the toxicological eï¬ects of ionic liquids (ILs) against Candida albicans (C. albicans) were studied via the QSAR method. A large diverse group of 141 and 85 ILs that have a minimal inhibitory concentration (MIC) and a minimum fungicidal concentration (MBC) against C. albicans were used to obtain multiple linear regression models. These two models were developed based on matrix norm indexes and proposed based on the atomic character and position. Matrix norm indexes proposed in our research group were used to calculate the toxicity of these ILs towards C. albicans for the first time. These two models precisely estimated the toxicity of these ILs towards C. albicans with a square of correlation coefficient (R2) ofâ¯=â¯0.930 and a standard error of estimate (SE) ofâ¯=â¯0.254 for pMIC, and for pMBC, R2â¯=â¯0.873 and SEâ¯=â¯0.243.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemosphere - Volume 201, June 2018, Pages 417-424
Journal: Chemosphere - Volume 201, June 2018, Pages 417-424
نویسندگان
Fangyou Yan, Wensi He, Qingzhu Jia, Shuqian Xia, Qiang Wang,