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.
eos7pw8syba-synthetic-accessibilityCompoundSingleRegressionScoreFloatSingleIf you use this model, please cite the original authors of the model and the Ersilia Model Hub.
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