{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Advances in Neural Information Processing Systems 33 (NeurIPS 2020)"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2406050001"],"repository":["biostudies-other"],"additional_accession":["10.48550/arXiv.2007.02835"],"pubmed_authors":["Amna Ali","Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Rong2020 - Grover-Freesolv: Experimental and calculated hydration free energy of small molecules in water","description":"<p>This model has been trained using the GROVER embedding and the the FreeSolv dataset from MoleculeNet. The Model is based on experimental and calculated hydration free energy of small molecules in water and Hydration free energies are relevant to understand the binding interaction between a molecule (in solution) into its binding site. </p><p><normal>Model Type:</normal> Molecular properties prediction ML model.<br><normal>Model Relevance:</normal> Predicts Calculated Hydration Free energy.<br><normal>Model Encoded by:</normal>  Amna Ali (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/eos157v\">https://github.com/ersilia-os/eos157v</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-06-05T00:00:00Z","modification":"2025-07-14T17:01:41.897Z","creation":"2025-03-31T13:26:35.227Z"},"accession":"MODEL2406050001","cross_references":{"stato":["STATO:0000274"],"ncit":["NCIT:C18218","NCIT:C53237","NCIT:C16421","NCIT:C18219","NCIT:C103240","NCIT:C16309","NCIT:C176258","NCIT:C17429","C154407","NCIT:C28009","C45329","NCIT:C75915"],"edam":["topic_3336","topic_0154","topic_3474","data_1497"],"cheminf":["CHEMINF:000018"],"doi":["10.48550/arXiv.2007.02835"],"unknown":["eos157v","datasets-1"]}}