Swanson2023 - ADMET-AI: To evaluate the pharmacokinetics property of large-scale chemical libraries

ABSTRACT: A framework based on ensemble of five Chemprop-RDKit models, for fast batch prediction of ADMET properties of small molecules. Model Type: Predictive machine learning model. Model Relevance: Fast batch prediction for ADMET properties Model Encoded by: Dhanshree (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos7d58

SUBMITTER: Zainab Ashimiyu-Abdusalam  

PROVIDER: MODEL2408070002 | BioModels | 2024-08-07

REPOSITORIES: BioModels