NeSyDPP-4: discovering DPP-4 inhibitors for diabetes treatment with a neuro-symbolic AI approach

These findings suggest that the NeSyDPP-4 model not only delivered high predictive performance but also demonstrated generalizability to external datasets. This approach presents a cost-effective and reliable alternative to traditional vivo screening, offering valuable support for the identification and classification of biologically active DPP-4 inhibitors in the treatment of type 2 diabetes mellitus (T2DM).