{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["27"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Bioorganic & medicinal chemistry"],"pagination":["3110-3114"],"species":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2404220003"],"repository":["biostudies-other"],"additional_accession":["31176566"],"pubmed_authors":["Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Sun2019 - Predictive models of aqueous solubility of organic compounds.","description":"<p>Kinetic aqueous solubility (μg/mL) was experimentally determined using the same SOP in over 200 NCATS drug discovery projects. A final dataset of 11780 non-redundant molecules and their associated solubility was used to train a SVM classifier.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Predicting the aqueous solubility of a chemical compound.<br><normal>Model Encoded by:</normal> Pauline (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/eos74bo\">https://github.com/ersilia-os/eos74bo</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-04-22T00:00:00Z","modification":"2025-07-14T17:02:48.987Z","creation":"2025-03-31T13:25:31.154Z"},"accession":"MODEL2404220003","cross_references":{"bao":["0000009","0002305","0000411","0002775"],"stato":["STATO:0000274","STATO:0000415","STATO:0000031"],"pubmed":["31176566"],"ncit":["NCIT:C78542","NCIT:C64364","NCIT:C16309"],"edam":["topic_3336","topic_0154","topic_3474"],"cheminf":["CHEMINF:000018"],"pato":["PATO:0001538","PATO:0001664","PATO:0001663"],"taxonomy":["9606"],"unknown":["ncats-adme","1645848","chemprop","eos74bo","predictions"]}}