biostudies-otherUnknownZainab Ashimiyu-AbdusalamBioinformaticshttps://www.ebi.ac.uk/biostudies/studies/MODEL2408070002biostudies-other10.1101/2023.12.28.573531Dhanshree AroraZainab Ashimiyu-AbdusalamfalseSwanson2023 - ADMET-AI: To evaluate the pharmacokinetics property of large-scale chemical libraries<p> A framework based on ensemble of five Chemprop-RDKit models, for fast batch prediction of ADMET properties of small molecules.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Fast batch prediction for ADMET properties <br><normal>Model Encoded by:</normal> Dhanshree (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href="https://ersilia.io/">Ersilia</a> is available here: <br><a href="https://github.com/ersilia-os/eos7d58">https://github.com/ersilia-os/eos7d58</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-08-07T00:00:00Z2025-07-14T17:00:08.871Z2025-03-31T13:27:56.263ZMODEL2408070002MCRO:0000026topic_3336topic_0154topic_3474GO:1904480EFO:0020927OBA_0000105eos7d58admet_aichemprop001019300021300000009000230500030410002117000277500024990002256STATO:0000274STATO:0000564STATO:0000037STATO:0000201STATO:0000415STATO:000003138234753C26633NCIT:C123937NCIT:C17273NCIT:C191645NCIT:C176258NCIT:C111373NCIT:C14081NCIT:C121777C154407NCIT:C27955NCIT:C84427NCIT:C92492C17888NCIT:C79372NCIT:C79371NCIT:C18218NCIT:C155915NCIT:C176811NCIT:C120266NCIT:C17429NCIT:C114948NCIT:C53237NCIT:C105741NCIT:C79369C27990NCIT:C17063C15299NCIT:C199688NCIT:C70913C79370NCIT:C34077NCIT:C13194NCIT:C155923NCIT:C70916NCIT:C15492NCIT:C16309NCIT:C16307C45329NCIT:C18126CHEMINF:000431CHEMINF:001516CHEMINF:000018CHEMINF:001513CHEMINF:000152MI:2025MI:2047MI:2116MI:2138MI:2139MI:2136OMIT:0028678OMIT:0028701OMIT:0028710OMIT:002799410.1101/2023.12.28.57353110.5281/zenodo.10372418