ncats/ncats-adme
The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.nih.gov/adme/home
This application helps drug discovery scientists predict how new chemical compounds will behave in the body. You input the chemical structure of a compound, and it outputs predictions for critical ADME properties such as stability in liver microsomes, permeability across biological membranes, and solubility. This is ideal for medicinal chemists and pharmacologists involved in early-stage drug development.
Use this if you need to quickly assess the Absorption, Distribution, Metabolism, and Excretion (ADME) characteristics of potential drug candidates without extensive lab work.
Not ideal if you need a fully validated, regulatory-compliant ADME prediction tool for clinical trials or if you lack basic command-line proficiency.
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Mar 03, 2026
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