کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1179936 | 962812 | 2012 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Fragment-based approach for the in silico discovery of multi-target insecticides
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
⺠A multi-target QSAR model toward the design and prediction of versatile insecticides is developed. ⺠The validation of the model was carried out by means of external predicting series. ⺠The model permitted the automatic extraction of the fragments which have potential relation with insecticidal activity through different mechanisms of action. ⺠From fragments with positive contributions, new molecular entities were designed and suggested as potential insecticides. ⺠The present computational approach provides the fast and efficient discovery of compounds which can act as insecticides through more than one mechanism of action.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 111, Issue 1, 15 February 2012, Pages 39-45
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 111, Issue 1, 15 February 2012, Pages 39-45
نویسندگان
Alejandro Speck-Planche, Valeria V. Kleandrova, Marcus T. Scotti,