Artificial Intelligence for Drug Design

The use of artificial intelligence in drug research and development plays an increasingly important role in evaluating the interaction between biological targets and drug molecules, optimizing drug design paths, etc., helping to accelerate the process of drug research and development and reduce the cost of research and development risks.

This book is aimed at researchers or technicians who are interested in cross-research in the field of life sciences and drug research and development. The content is mainly divided into four parts: 1. Fundamentals of artificial intelligence algorithms; 2. Data foundation and representation; 3. Artificial intelligence and drug design; 4. Program code. It systematically introduces artificial intelligence algorithms, focuses on key data resources in biomedicine, especially some data mining methods based on artificial intelligence. With the drug research and development process as the main line, for each key step where the artificial intelligence algorithm is integrated, it first introduces the basic principles and existing challenges of drug design, and then systematically reviews the progress of artificial intelligence (AI) algorithms in this research direction. Introduce existing cross-application examples.