Identifying a logical specification and a program for an LLM-based generator of lead molecules
Ashwin Srinivasan, Tirtharaj Dash, A. Baskar, Sanjay Kumar Dey, Mainak Banerjee
The paper develops an LLM-based method for generating feasible lead molecules for DBH inhibitors, achieving comparable affinity to clinical trial drugs.
Machine Learning · Sep 1, 2026Peer-reviewedBioinformatics