Hi , I am relatively new to this. I have 26 compounds. For these, there is a data set in csv format that includes descriptors that I have calculated around 5000 and ic50 value. For these, I would like to perform QSAR analysis with deep learning artificial neural networks and predicted ic50 values. However, I am insufficient with code. Can anyone help?
Thanks
Requested code for qsar analysis. I am new for deep learning
Try checking out the tutorial here https://github.com/deepchem/deepchem/blob/master/examples/tutorials/04_Molecular_Fingerprints.ipynb.
It should help you get started with basic QSAR analysis. Happy hacking!
This does not meet the question I am asking and what I want. I do not use fingerprints. I will not calculate any descriptors for my molecules. I just gave numbers like 1,2,3,4 to the molecules. Already in the csv file, I put the calculated descriptors for all complexes in the csv from some external programs. I want to use this csv and create my model with deep learning artificial neural networks.