{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["12"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Journal of cheminformatics"],"pagination":["35"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2407180002"],"repository":["biostudies-other"],"additional_accession":["33431015"],"pubmed_authors":["Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Voršilák2020 - Bayesian estimation of synthetic accessibility of organic compounds","description":"<p>SYBA uses a fragment-based approach to classify whether a molecule is easy or hard to synthesize, and it can also be used to analyze the contribution of individual fragments to the total synthetic accessibility. The easy-to-synthesize dataset is an extract of the ZINC purchasable compounds, and the hard-to-synthesize dataset is generated using a Nonpher approach (introducing small molecular perturbations to transform molecules into more complex compounds). The fragments are calculated with ECFP8 descriptors, and independence between fragments is assumed.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Prediction of synthetic accessibility<br><normal>Model Encoded by:</normal>  Miquel Duran-Frigola (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/eos7pw8\">https://github.com/ersilia-os/eos7pw8</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-07-18T00:00:00Z","modification":"2025-07-14T17:00:49.897Z","creation":"2025-03-31T13:27:17.122Z"},"accession":"MODEL2407180002","cross_references":{"stato":["STATO:0000274","STATO:0000530","STATO:0000233","STATO:0000134","STATO:0000415"],"bao":["0002305"],"pubmed":["33431015"],"ncit":["NCIT:C53237","NCIT:C16309","NCIT:C142403","C61408","C45329","C154407"],"edam":["topic_3336","topic_0154","topic_3474"],"cheminf":["CHEMINF:000316","CHEMINF:000018"],"mi":["MI:2225"],"unknown":["syba","nonpher","eos7pw8"]}}