Role of Ai in Enhancing Solubility and Bioava...

Role of Ai in Enhancing Solubility and Bioavailability of Poorly Soluble Drugs

Author Name : Asiya Shaik, Dasari Nirmala, Sakshi Samge

ABSTRACT Poor aqueous solubility is a major barrier to oral drug absorption and clinical success. Artificial intelligence (AI) — including machine learning (ML), deep learning (DL), and AI-augmented molecular simulations — is transforming formulation science by accelerating solubility prediction, formulation screening, mechanistic understanding of drug–excipient interactions, and optimization of delivery systems to improve bioavailability. This review synthesizes recent advances in AI applications across (1) in silico solubility prediction, (2) selection and optimization of solubility-enhancing strategies (nanoparticles, solid dispersions, lipid-based systems, cyclodextrins, co-crystals), (3) mechanistic modeling and PBPK integration, and (4) automated experimentation and closed-loop optimization. Challenges and future perspectives are discussed.