mishima.syk #7

Yesterday, Mishima.syk #7 was held.
It was really impressive for me. Thanks to all participants and presenters.
I also presented demonstration about “Chainer” and “Tensorflow” in QSAR.

My presentation was uploaded to github.

In my opinion, Using DL for QSAR is good idea but still challenging.
Because there are some problems.
1st. Kinds of input data. ( Fingerprint( almost 2D… ) or descriptors are suitable for DL ?)
2nd Data volume. ( Are there enough training data ?)
3rd Design of model. (How may layers, nodes, activation function, etc. need to build good model ?)
I ‘m still thinking….( I have no answer yet. )

Can AI play a role of MedChem ?
Can AI think about “what’s make next” ?


Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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