Sort   by:  
 Page size 
ModelsShah2020 - Predicting Human Liver Microsomal Stability of small molecules
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 i...
2024-05-13 | MODEL2405130005 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsShah2020 - Predicting liver cytosol stability of small molecules.
The human liver cytosol stability model is used for predicting the stability of a drug in the cytosol of human liver cells, which is beneficial for identifying potential drug candidates early during the drug discovery process. If a drug compound is quickly absorbed, it may not reach the intended tar...
2024-04-22 | MODEL2404220005 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsGonzalez2021 - QSAR Prediction Model for CYP2D6 Inhibitor and Substrate
Analysis of metabolic stability, determining the inhibition of CYP2D6 activity and whether the compounds are a substrate for the CYP2D6 enzyme. The data used to build these models has been publicly available at PubChem (AID1645840) by ADME@NCATS. Model Type: Predictive machine learning model. Model...
2024-05-10 | MODEL2404160003 | BioModels
Machine Learning Model Ersilia 
ModelsGonzalez2021 - QSAR Prediction Model for CYP3A4 Inhibitor and Substrate
Analysis of metabolic stability, determining the inhibition of CYP3A4 activity and whether the compounds are a substrate for the CYP3A4 enzyme. The data used to build these models has been publicly available at PubChem (AID1645841) by ADME@NCATS. Model Type: Predictive machine learning model. Model...
2024-05-10 | MODEL2404160001 | BioModels
Machine Learning Model Ersilia 
ModelsGonzalez2021 - QSAR Prediction Model for CYP2C9 Inhibitor and Substrate
Analysis of metabolic stability, determining the inhibition of CYP2C9 activity and whether the compounds are a substrate for the CYP2C9 enzyme. The data used to build these models has been publicly available at PubChem (AID1645842) by ADME@NCATS. Model Type: Predictive machine learning model. Model...
2024-04-16 | MODEL2404160002 | BioModels
Machine Learning Model Ersilia 
ModelsGonzalez2021 - QSAR Prediction Model for CYP450 enzymes Inhibitor and Substrate
Analysis of metabolic stability, determining the inhibition of CYP450 activity and whether the compounds are a substrate for the CYP450 enzymes. The data used to build these models is publicly available at PubChem (AID1645840, AID1645841, AID1645842). The tested cyps include CYP2C9, CYP2D6 and CYP3A...
2024-05-10 | MODEL2404160004 | BioModels
Machine Learning Model Ersilia 
Sort   by:  
 Page size