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) 
.
$\begingroup$
$\endgroup$
6
-
$\begingroup$ your question has no question mark (?). What is it that you want to know? $\endgroup$ – Bruno Lubascher Dec 10 '19 at 18:33
-
$\begingroup$ I want to recognize these benzene structures as benzene $\endgroup$ – Lalit Vyas Dec 10 '19 at 18:34
-
$\begingroup$ Ok, and what is your question? $\endgroup$ – Bruno Lubascher Dec 10 '19 at 18:34
-
$\begingroup$ What way I could follow to achieve this? or is there any similar work I could follow $\endgroup$ – Lalit Vyas Dec 10 '19 at 18:35
-
$\begingroup$ Do you want to only recognize if it is benzine (i.e. is it benzine yes or no) or do you want to recognize the name of any structure? $\endgroup$ – Bruno Lubascher Dec 10 '19 at 18:38
|
Show 1 more comment
$\begingroup$
$\endgroup$
4
What way I could follow to achieve this?
- Create a dataset with
image-labelpairs. - 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.
answered Dec 10 '19 at 18:49
-
$\begingroup$ Thank You!! @Bruno GL, I will go through these papers. $\endgroup$ – Lalit Vyas Dec 11 '19 at 6:39
-
$\begingroup$ @LalitVyas great I could help. If you think like your question has been answer, feel free to accept this answer. $\endgroup$ – Bruno Lubascher Dec 11 '19 at 10:48
-
-
