Midruglikeness: subdivisional drug-likeness prediction models using active ensemble learning strategies

HIGHLIGHTS

• who: Chenjing Cai et al. from the Center for Quantitative Biology, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing, China have published the article: miDruglikeness: Subdivisional Drug-Likeness Prediction Models Using Active Ensemble Learning Strategies, in the Journal: Biomolecules 2022, 12, x FOR PEER REVIEW of /2022/
• what: The models in the active learning process are used as base learners for ensemble learning in the study . The authors first proposed and implemented three subdivisional models to NumAromaticRings
• how: Using graph neural networks the authors developed three subdivisional models to individually predict the capacity . . .
  

   

  

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