By a News Reporter-Staff News Editor at Robotics & Machine Learning DailyNews Daily News - According to news reporting based on a preprint abstract, our journalists obtained thefollowing quote sourced from bi orxiv.org:“Accurate in-silico prediction of protein-ligand binding affinity is essential f or efficient hit identificationin large molecular libraries. Commonly used stru cture-based methods such as giga-docking often fail torank compounds effectivel y, and free energy-based approaches, while accurate, are too computationally int ensive for large-scale screening. Existing deep learning models struggle to gene ralize to new targets ordrugs, and current evaluation methods do not reflect re al-world performance accurately.
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