The authors aim to shed light on the practicality of using machine learning in finding complex chemoinformatics and bioinformatics applications as well as identifiying AI in biological and chemical data points. The chapters are designed in such a way that they highlight the important role of AI in chemistry and bioinformatics particularly for the classification of diseases, selection of features and compounds, dimensionality reduction and more. In addition, they assist in the organization and optimal use of data points generated from experiments performed using AI techniques. This volume discusses the development of automated tools and techniques to aid in research plans. Features Covers AI applications in bioinformatics and chemoinformatics. Demystifies the involvement of AI in generating biological and chemical data. Provides an Introduction to basic and advanced chemoinformatics computational tools. Presents a chemical biology based toolset for artificial intelligence usage in drug design. Discusses computational methods in cancer, genome mapping and stem cell research.