Dataset Information

Shah2020 - Predicting Human Liver Microsomal Stability of small molecules

ABSTRACT: The Human Liver Microsomal assay takes into account the liver-mediated drug metabolism to assess the stability of a compound in the human body. The NIH-NCATS group took a proprietary dataset of 4300 compounds with its associated HLM (in vitro half-life; unstable ≤ 30 min, stable >30 min) and used it to train a classifier. Model Type: Machine learning model. Model Relevance: Probability of a compound being unstable in a HLM assay. Model Encoded by: Pauline Banye (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos31ve

SUBMITTER: Zainab Ashimiyu-Abdusalam