Research In Search And Visualization Of Biology Databases

As the development of the computer science technology, it impacts almost all the scientific fields, including the synthetic drug area. Nowadays, most of the new medicines are no longer developed by the traditional way, which the compounds are mixed together one by one in the lab. They are created by using virtual experiment on the computer. It usually requires to compare and analysis a large amount of data in the chemical database, therefore, how to search the information the developer concerned in the large chemical database rapidly, and show it in graph become a hot research area.In this paper, based on the other people' s work, a rapid algorithm for visualizing large chemical database in a low-dimensional space (2D or 3D) is presented as a first step in the database analysis and design applications. The algorithm is based on the singular value decomposition (SVD) combined with a minimization procedure by using Truncated-Newton method. It maintains the original relationship between each pair of the compounds very well, and in the algorithm the sparse matrix concept is used in order to reduce the memory and computing time cost. The computer visualization technique is also introduced to the package to give the developer a nice GUI.First, the paper establishes the mathematical model, and then it will show the detail of the whole algorithm, how it programmed and the experimental results. In the end, it describes the GUI of the package. The experimental results will show the efficiency of the algorithm.