I want to use MATLAB deep learning toolbox to relate the activity (pIC50) of molecules to their molecular descriptors. Can I use convolutional neural network with a regression layer as its output layer to solve this regression problem?
Yes you can use it for your project too. The tool box is https://www.mathworks.com/products/deep-learning.html
For regression based tasks : Conference Paper Deep Convolutional Neural Network Based Regression Approach ...
Some reads :https://towardsdatascience.com/deep-neural-networks-for-regression-problems-81321897ca33
Trained via Matlab : https://www.mathworks.com/help/deeplearning/examples/train-a-convolutional-neural-network-for-regression.html;jsessionid=2c56a20c391fba5cd00177e8cd34