Quantitative structure–activity relationship (QS

更新时间:2023-05-05 03:18:00 阅读: 评论:0

Quantitative structure–activity relationship (QSAR) analys梦见丢孩子 is 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
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
software;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.
The balanced subts method (BSM) bad on k-means cluster analysis (k-MCA) is
employed to spl90年代的电视剧 it the data t. The replacement method (RM) variable subt
lection technique coupled with multivari漫画人物女生 able linear regression (MLR) proves to be
successful for exploring 18,326 molecula三七有什么功效 r descriptors and fingerprints calculated
with PaDEL, Mold 2 and EPI Suite open-source software. RESULTS: A robust QSAR
model (Rtra香煎海鱼 in2=0.84, S train =0.20 and Rtest2=0.92, S test =0.23) involving five no香煎芋头糕 n-
conformational descriptors is established. The model is validated and tested
through the u of an external test
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