Applications of Multi-Class Machine Learning Models to Drug Design

Authors: Waldman M, Lawless M, Daga PR, Clark RD
Conference: ACS
Keywords: ADMET, ADMET Modeler, ANNE, artificial neural network ensemble
Software: ADMET Predictor®
Division: PBPK

Overview Applications of multi-class machine learning models to ADMET

  • Motivation
  • Approaches/Methodology
  • Application
  • Comparison
  • Summary/Conclusions

256th American Chemical Society National Meeting & Exposition, August 19-23, 2018, Boston, MA

By Marvin Waldman, Michael Lawless, Pankaj R Daga, Robert D Clark