Although Bayesian Optimization (BO) has been employed for accelerating materials design in computational materials engineering, existing works are restricted to problems with quantitative variables.

Ligand efficiency measures quantify the molecular properties, particularly size and lipophilicity, of small molecules that are required to gain binding affinity to a drug target. There are additional ...

Search optimization now requires combining traditional SEO with AI-focused GEO and answer-driven AEO strategies AI search usage continues to grow, with 10% of US consumers currently using generative ...