Fig. 4: Evaluation on real-world targets.
From: Token-Mol 1.0: tokenized drug design with large language models
Comparison between (a) structures and binding modes, and (b) related molecular properties of drug-like molecules with the highest affinity generated for CDK2 and ARA2A by the Token-Mol and baseline models. The detailed information of molecular properties is presented in Supplementary Table 5.
