Artificial Intelligence (AI) In Drug Discovery

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Authors: Yogesh Kakrambe1, Dr. Kardile Prabhakar2, Rajkumar Shete3, Sambodhi Patil4, Sandip pawar5
Cited by: 0

Abstract

Drug discovery is a complex, time-consuming, and costly process, traditionally requiring over a decade and billions of dollars to bring a new drug to market. Recent advances in artificial intelligence (AI), particularly machine learning (ML) and deep learning (DL), have transformed multiple stages of the drug discovery pipeline. AI-driven approaches enable faster target identification, improved hit-to-lead optimization, accurate prediction of molecular properties, and more efficient clinical trial design. This review summarizes the core AI methodologies used in drug discovery, highlights key applications across the pipeline, discusses current challenges, and outlines future directions for AI-enabled pharmaceutical research..

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science Artificial Intelligence in Healthcare and Education

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
13 February 2026
Language
EN