Deeplearning and organic chemistry

there’s things so specific that you never get to know them and if you do you are not able to retrieve unless you have noted down its name or some keyword

“neural networks applied to computed molecular fingerprints or expert-crafted descriptors and graph convolutional neural networks that construct a learned molecular representation by operating on the graph structure of the molecule.”

from here https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00237

more AI and drug discovery though

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out /  Change )

Google photo

You are commenting using your Google account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

Connecting to %s