The goal of chemmodlab is to streamline the fitting and assessment pipeline for many machine learning models in R, making it easy for researchers to compare the utility of these models. While focused on implementing methods for model fitting and assessment that have been accepted by experts in the cheminformatics field, all of the methods in chemmodlab have broad utility for the machine learning community. chemmodlab contains several assessment utilities, including a plotting function that constructs accumulation curves and a function that computes many performance measures. The most novel feature of chemmodlab is the ease with which statistically significant performance differences for many machine learning models is presented by means of the multiple comparisons similarity plot. Differences are assessed using repeated k-fold cross validation, where blocking increases precision and multiplicity adjustments are applied. chemmodlab is freely available on CRAN at https://cran.r-project.org/web/packages/chemmodlab/index.html .

中文翻译：

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chemmodlab：化学信息学建模实验室R包，用于拟合和评估机器学习模型。

chemmodlab的目标是简化R中许多机器学习模型的拟合和评估流程，使研究人员可以轻松比较这些模型的效用。尽管专注于实现化学信息学领域的专家接受的模型拟合和评估方法，但chemmodlab中的所有方法在机器学习社区中都具有广泛的用途。chemmodlab包含多个评估实用程序，其中包括用于构建累积曲线的绘图功能和用于计算许多性能指标的功能。chemmodlab的最新颖的功能是通过多重比较相似度图轻松呈现许多机器学习模型的统计上显着的性能差异。使用重复的k倍交叉验证来评估差异，阻塞会提高精度，并会应用多重调整。chemmodlab在CRAN上免费提供，网址为https://cran.r-project.org/web/packages/chemmodlab/index.html。