MODELING BIOLOGICAL EFFECTS OF MOLECULES USING MOLECULAR PROPERTY MODELS

摘要

The biological effector molecule of method, equipment and product modeling is also disclosed. It is of concern about biological characteristic that the application of machine learning can be configured as one group of trained example of processing. Once being trained to, it is a kind of test molecule that machine learning application, which can be configured as generation prediction about characteristic of interest,. The embodiment of the present invention provides a kind of meta-model, and the predictive molecule for being configured as generating biological effect is based on prediction generation test molecule by multiple molecular property models.