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. Author manuscript; available in PMC: 2023 Nov 1.
Published in final edited form as: Small. 2022 Oct 10;18(46):e2204941. doi: 10.1002/smll.202204941

Figure 3.

Figure 3.

Schematic representation of the quantitative structure–activity relationship (QSAR) methodology used in this project. (A) Modeling workflow: three machine learning approaches are evaluated using five-fold cross-validation (5-CV) repeated 10 times. (B) Overall workflow and the training procedure for prediction of nanoparticle sequence using transformer-based approach: tokenization, embedding followed by transformer modeling and prediction.