Quantitative structure–activity relationship (QSAR) analysis of plant‐derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors 期刊名称： Pest Management Science
sky watcherani difranco作者： Saavedra, Laura M.,Romanelli, Gustavo P.,Duchowicz, Pablo R.
年份： 2018年
关键词： Aedes aegypti;larvicidal activity;QSAR theory;PaDEL open‐source
specificlysoftware;EPI Suite program
摘要：BACKGROUND: We develop a QSAR model for predicting the larvicidal
activity of 60 plant-derived molecules against Aedes aegypti L. (Diptera: Culicidae),
vector of veral dias such as, dengue, yellow fever, chikungunya and Zika virus.cream是什么意思
The balanced subts method (BSM) bad on k-means cluster analysis (k-MCA) is
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employed to split the data t. The replacement method (RM) variable subt
lection technique coupled with multivariable linear regression (MLR) proves to be
successful for exploring 18,326 molecular descriptors and fingerprints calculated
with PaDEL, Mold 2 and EPI Suite open-source software. RESULTS: A robust QSAR初中生英语自我介绍
model (Rtrain2=0.84, S train =0.20 and Rtest2=0.92, S test =0.23) involving five non-the bell curve
conformational descriptors is established. The model is validated and tested
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