Skip to content

A code where I trained a machine learning (CNN) model using pytorch to predict the efficacy of a drug using pIC50 as a measure

Notifications You must be signed in to change notification settings

HazemAhmad/CNN_DrugDesign

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Give a very brief description of your topic.

CNN_DrugDesign

An approach to predict the drug affinities to a specific receptor using convolutional neuronal network. The input is comprised of molecule smiles which are converted to one-hot encoding then the network is trained with the known drug affinities as targets.

About

A code where I trained a machine learning (CNN) model using pytorch to predict the efficacy of a drug using pIC50 as a measure

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages