Chemical libraries

Chemical libraries

Chemical libraries, also known as compound libraries, are collections of stored chemicals that are used in various applications, such as high-throughput screening and industrial manufacture[1]. These libraries consist of a series of stored chemicals, either real or virtual, that represent a fraction of the theoretically possible chemical compounds[3].

Chemical libraries play a crucial role in drug discovery and development. They serve as valuable resources for identifying potential drug candidates by systematically testing large collections of compounds against specific biological targets[1]. By screening these libraries, researchers can identify lead compounds that exhibit desired interactions with the target and show potential therapeutic effects[1].

One notable example of a chemical library is PubChem, which is the largest collection of freely accessible chemical information in the world[2]. PubChem provides a platform for researchers to search for chemicals by name, molecular formula, structure, and other identifiers. It offers a wealth of chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations, and more[2].

Chemical libraries also encompass natural product-based libraries, which are collections of compounds derived from natural sources such as plants, marine organisms, and microorganisms. Natural products have long been valuable sources for drug discovery due to their structural diversity and biologically relevant activities[3].

In addition to their significance in drug discovery, chemical libraries are also used in other areas of research, such as chemical informatics and computational chemistry. Researchers utilize chemoinformatics tools and methods to design and build chemical libraries, enabling them to explore chemical space efficiently and identify compounds of interest[4]5.

Overall, chemical libraries play a crucial role in drug discovery and other scientific research endeavors. They provide a diverse range of chemical compounds for screening and exploration, helping researchers identify potential drug candidates and advance our understanding of chemical and biological interactions.


Chemical library – Wikipedia

Chemical libraries – Latest research and news | Nature


Chemical Library – an overview | ScienceDirect Topics

[Chemoinformatics-based enumeration of chemical libraries: ↩