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Consortium-led federated QSAR models for secondary pharmacology – preparing the data

Davies R; Williams RV; Fowkes A; Johnston LA;

Quantitative structure-activity relationship (QSAR) models trained on a single data source tend to have limited coverage against data from other sources. This is a particular issue when predicting proprietary data using models trained on public data. Presented at the SOT, this poster looks at Effiris, a consortium-led federated QSAR model for secondary pharmacology, with particular attention on data preparation.