Virtual Chemical Libraries 论文

摘要

Advances in computer processing speed and storage capacity have enabled researchers to generate virtual chemical libraries containing billions of molecules. While these numbers appear large, they are only a small fraction of the number of organic molecules that could potentially be synthesized. This review provides an overview of recent advances in the generation and use of virtual chemical libraries in medicinal chemistry. We also consider the practical implications of these libraries in drug discovery programs and highlight a number of current and future challenges.