Interactive visual aided drug design system and implementing method
A technology for aiding design and implementation methods, applied in computing, special data processing applications, instruments, etc., can solve problems such as reduced efficiency, no drug design framework, difficulties, etc., and achieve the effect of convenience and simplicity
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[0041] See figure 1 As shown, the drug-aided design system of the present embodiment 1 includes a molecular drawing module, a molecular format conversion module, a local operation module, a web operation module, a client activation module, a communication module, a web database, and a user management module;
[0042] Local job modules include custom compound libraries and molecular similarity screening modules;
[0043] The molecular drawing module is connected with the molecular similarity screening module through the molecular format conversion module; the molecular similarity screening module is also connected with the web operation module;
[0044] The web operation module, the client activation module and the communication module are connected in pairs;
[0045] The communication module, the web database and the user management module are connected in pairs.
[0046] It also includes a result file parsing module and a display module; both the molecular similarity screen...
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