Merging Bioactivity Predictions from Cell Morphology and Chemical Fingerprint Models Using Similarity to Training Data
Srijit Seal, Hongbin Yang, Maria‐Anna Trapotsi, Satvik Singh, Jordi Carreras Puigvert, Ola Spjuth, Andreas Bender
The paper develops similarity-based merger models that combine chemical structure and cell morphology predictions to improve assay hit calls across multiple biological assays.
Journal of Cheminformatics · Jun 2, 2023Peer-reviewedBioinformatics