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The process of designing drugs is a major challenge in pharmaceutical industry because it is costly and time-consuming to design, test and register a new drug candidate.1 There are two commonly used methods of drug designing; high throughput screening and rational drug design. Rational drug design is often performed using virtual screening.2 Virtual screening is an inexpensive in silico approach to find new potential drug. In virtual screening, hundreds of thousands to millions of molecules can be tested within a short time and this computational screening can reduce the number of in vitro assay required. Therefore, this approach also potentially reduces the cost and time of the development process.3

HerbalDB 2.0: Optimization of Construction of Three-Dimensional Chemical Compound Structures to Update Indonesian Medicinal Plant Database