👉 Drug computing refers to the computational methods and algorithms used in drug discovery, development, and optimization. It encompasses a wide range of techniques, from molecular docking and virtual screening to quantitative structure-activity relationship (QSAR) modeling and machine learning, all aimed at predicting how potential drug candidates will interact with biological targets. These computational approaches help researchers understand the binding affinities, pharmacokinetics, and potential side effects of compounds, significantly reducing the time and cost associated with traditional experimental methods. By simulating and analyzing vast chemical libraries, drug computing enables scientists to identify promising drug candidates early in the development process, ultimately accelerating the discovery of new therapies for various diseases.
