Random Forest Model Prediction of Compound Oral
Exposure in the Mou
代替什么意思
期刊名称： ACS Pharmacology And Translational Science
韭菜面条的做法年份： 2021年幼儿逻辑思维
期号： 第1期
关键词： area under the curve;oral exposure;snapshot PK;mou大班语言活动教案40篇
pharmacokinetics;machine learning model
欧洲十大艺术风格
虫草酒经营贷款计算器摘要：An early hurdle in the optimizationof small-molecule chemicalprobes and drug discovery entities is the attainment of sufficientexposure in the mou via oral administration of the compound. Whilecomputational approaches have attempted
to predict molecular propertiesrelated to the mou pharmacokinetic (PK) profile, we prent hereina m
achine learning approach to specifically predict the oral exposureof a compound as measured in the mou snapshot PK assay. A randomforest workflow was found to produce the best cross-validation andexternal test t statistics after processing of the input data tand optimization of model features. The modeling approach should beuful to the chemical biology and drug discovery communities to predictthis key molecular property and afford chemical entities of translationalsignificance.
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