The application discloses a
molecular mechanism automatic prediction method and
system based on a complex
compound system, relates to the technical field of
bioinformatics analysis, and comprises the following steps: constructing an integrated analysis platform, configuring a visual
workflow, performing full-process automatic analysis, and generating a result and a structured report. The application forms a unified integrated analysis platform by integrating a multi-
source data interface, multiple independent analysis modules, a dynamic module
adaptation mechanism and multi-
source data collaborative
verification logic, realizes end-to-end process connection from compound information input to structured
report generation, does not need manual intervention in
data transmission and format conversion, solves the problems of dispersion, process fragmentation and complicated operation of traditional tools, improves the
overall efficiency of
molecular mechanism prediction in early
drug research and development, and adopts a drag-and-drop visual
workflow configuration interface to support users in combining independent analysis modules and flexibly configuring
data transmission paths, so that the configuration difficulty of a complex analysis process is reduced.