Three-dimensional structure determination device, three-dimensional structure determination method, three-dimensional structure discriminator learning device, three-dimensional structure discriminator learning method, and program

摘要

PROBLEM TO BE SOLVED: To remarkably improve the determination accuracy of a three-dimensional structure such as protein/ligand binding in comparison with the conventional one. An image generating apparatus for generating a set of images including a plurality of images obtained by projecting a three-dimensional structure of a bond of a first substance and a second substance onto a two-dimensional plane from a plurality of viewpoints. The unit 11 and a discriminator 13 that discriminates whether or not there is a predetermined property of a bond relating to a three-dimensional structure projected on one image when one image included in the image set is input, and an image set to the discriminator 13. Based on the value obtained by inputting each of the plurality of images included in the image for all the images included in the image set, the nature of the bond related to the three-dimensional structure projected on the images included in the image set Comprehensive determination unit 15 for determining the presence or absence of. [Selection diagram] Figure 1