**Ghulam Hussain**

Department of Physiology, Faculty of Life Sciences, Government College University Faisalabad (GCUF), Faisalabad, Pakistan

**IV**

The next chapter ("Chemical reactivity properties and bioactivity scores of the Angiotensin II vasoconstrictor octapeptide") emphasizes the reactivity descriptors, drug-likeness assessment, and prediction of oral bioavailability scores as preliminary steps for the development of new drugs based on specific peptide analogues, achieving a comparison of prediction realized with different quantum

Molecular complexity, flexibility, and other structural features and properties are used in a cheminformatic analysis of natural and synthetic compounds, based on similarity, in a case study of products originating from Panama, in an attempt to find and optimize lead compounds with antimalarial activity, in the chapter

In the chapter titled "Accelerating chemical tool discovery by academic collaborative models", the authors highlight the international efforts of academia and industrial pharmacists to generate consortia in the interdisciplinary field of chemical biology, to connect their knowledge, compound libraries and facilities, having the important goal to create open access information. The principal aim remains the development of new therapeutic compounds using the knowledge from multidisciplinary fields in academic and public and private media, thus helping researchers to solve mechanistical issues in

"Cheminformatic Approach: The Case of Natural Products of Panama".

The chapter "Chemical Biology Toolsets for Drug Discovery and Target

Machine learning and deep learning are aspects covered in the chapter titled "Machine-learning based drug discovery and design", presenting a detailed view of their theoretical aspects and applications related to *de novo* drug design, QSAR

The chapter titled "Cell Penetrating Peptides", as its title suggests, emphasizes their biomedical applications as transport vectors for different therapeutic agents across cell membranes. The authors describe the origin and the classifications of CPPs, their uptake mechanisms, and their promising clinical efficacity in various cancer

With all information and conclusive examples presented above, this book is a valuable learning resource for readers from the scientific community, students, researchers both beginners and experienced in the field of chemistry/bioinformatics and related domains. By taking note of these chapters, I hope readers will feel encouraged, inspired, and motivated to continue new research and

Identification" is an overview of chemical techniques and methodologies implemented in the study of biological systems, metabolic pathways, drug-target complex interactions, and other biochemical process, all with the common goal to understand the action and all biochemical implications of the introduction in therapeutics of a new drug. Different complementary instrumental techniques and methodologies aiming to provide deep insights into the chemical structure are discussed alongside validation methods and techniques of selection of a new

mechanical modelling methods.

life sciences.

drug candidate.

therapies.

discoveries.

analysis, and chemical space visualization

**1**

Section 1

Insights of Chemical

Structures by

Chemoinformatics

Approaches
