Figure 2 | Scientific Reports

Figure 2

From: AiKPro: deep learning model for kinome-wide bioactivity profiling using structure-based sequence alignments and molecular 3D conformer ensemble descriptors

Figure 2

Schematic representation of model architectures. The diagram shows the kinase and compound representations used in the models. Kinase input includes kinase entry, svMSAAS, and svMSA. Compound (3D) represents the 3CED descriptor from the 3D conformers of compound, while Compound (2D) consists of three descriptors (PCPP, MCFP, and MGFP) derived from the compound’s 2D structure.

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