biostudies-otherUnknown27Zainab Ashimiyu-AbdusalamBioorganic & medicinal chemistry3110-3114Homo sapienshttps://www.ebi.ac.uk/biostudies/studies/MODEL2404220003biostudies-other31176566Zainab Ashimiyu-AbdusalamfalseSun2019 - Predictive models of aqueous solubility of organic compounds.<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">2024-04-22T00:00:00Z2025-07-14T17:02:48.987Z2025-03-31T13:25:31.154ZMODEL24042200030000009000230500004110002775STATO:0000274STATO:0000415STATO:000003131176566NCIT:C78542NCIT:C64364NCIT:C16309topic_3336topic_0154topic_3474CHEMINF:000018PATO:0001538PATO:0001664PATO:00016639606ncats-adme1645848chempropeos74bopredictions