I want to recognize name of the chemical structure from the image of chemical structure, like in the given image it is benzene structure I want to recognize that it is benzene from the image(I should be able to recognize all these structures as benzene) What way I could follow to achieve this? (like this given any structure I want to recognize the name of it) .
What way I could follow to achieve this?
- Create a dataset with
- Create a classification model.
I don't think you will find any algorithm "out-of-the-box" for you to use. You might have a look at some paper to see the kind of approaches they have.
I would recommend you look at these:
https://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf which uses convolution neural nets and a heatmap as an attention mechanism. It even deals with noisy images.
https://web.stanford.edu/class/cs231a/prev_projects_2016/optical_recognition_of_chemical_structures.pdf which tries to identify hand-drawn structures. It uses a sort of edge detection algorithm for recreating the hand-drawn structures.