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.
https://github.com/iwatobipen/mishimasyk/tree/master/mishimasyk7
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” ?
