Prediction of Human Pharmacokinetics From Chemical Structure: Combining Mechanistic Modeling with Machine Learning
Andrea Grüber, Florian Führer, Stephan Menz, Holger Diedam, Andreas H. Göller, Sebastian Schneckener
Topics & Concepts
PharmacokineticsComputer scienceArtificial intelligenceMachine learningPhysiologically based pharmacokinetic modellingComputational biologyBioinformaticsBiologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceAnalytical Chemistry and Chromatography