Extremely Randomized Machine Learning Methods for Compound Activity Prediction.


Speed, a relatively low requirement for computational resources and high effectiveness of the evaluation of the bioactivity of compounds have caused a rapid growth of interest in the application of machine learning methods to virtual screening tasks. However, due to the growth of the amount of data also in cheminformatics and related fields, the aim of… (More)
DOI: 10.3390/molecules201119679


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