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bayer-science-for-a-better-life / Img2Mol

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Issue--How to train this Img2mol model #13

Closed NaphJohn closed 1 year ago

NaphJohn commented 1 year ago

Hi, OBrink: When I was testing this model, I met one problem: test5 test6 I used train model but get wrong predictions.

Do you have any advices to get high accuracy to test these pictures, we want to input these pictures from patents and get right smiles ? In my personal opinion, it is because there is no such sample when the model is trained, so can I use this Img2mol model that has been trained?

fmonta commented 1 year ago

Hi @whkaikai, please have a look @OBrink's detailed answer to your issue in DECIMER. I would simply say that these types of pseudo-molecules are not part of the training set of Img2Mol and could not be expected to be represented by SMILES strings anyhow. I don't think you will have better success with the pre-trained Img2Mol than with DECIMER, but of course, feel free to try.

NaphJohn commented 1 year ago

Thank you very much, it helps a lot.