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Shah2020 - Predicting Human Liver Microsomal Stability of small molecules

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NIAID Data Ecosystem2026-05-02 收录
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https://www.omicsdi.org/dataset/biomodels/MODEL2405130005
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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
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2024-05-13
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