AI-Driven Drug Screening

View at publisher
Authors: Tammana Pratap Rana, Anika Singh, Sai Pandharinath Shelke, Ameesha Mishra, Rajshri Singh
Cited by: 0
References: 64

Abstract

The integration of Artificial Intelligence (AI) into drug discovery has redefined the traditional image of pharmaceutics, aiding in reducing price and better prognosticative accuracy. AI, through Machine Learning (ML) and Deep Learning (DL), addresses this limitation of traditional methods by enabling rapid virtual screening, information-driven decision-making, and intelligent prioritization of compounds. Techniques such as molecular histrionics utilize SMILES, signifier, fingermark, and graph-establish networks heighten the prognostication of biological natural processes. AI correlates chemic, genomic, and clinical data to assist in target recognition, drug repurposing, and personalized drug development. However, challenges such as circumscribed data point availability, the dark-corner nature of models, and the experimental validation crack remain critical barriers. Emerging approaches like Explainable AI (XAI), Physics-Informed Machine Learning (PIML), etc. promise to heighten model transparency and reliability.

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science Cell Image Analysis Techniques

Publication details

Journal / source
Advances in computational intelligence and robotics book series
Pages
87–114
Publication date
8 January 2026
Document type
Book chapter