Questions tagged [drug-design]
For questions related to drug design using or that involve artificial intelligence techniques.
Causal Inference: Understanding the impact of an intervention
I'm trying to create a pipeline for a very common business scenerio. I want to see whats the impact of an intervention on an outcome. For example I want to know if I send a marketing email (...
Why GANs trained on QM9 dataset produces drug-like molecules?
Why the GANs (Generative adversarial Network) trained on QM9 dataset (contains 134K molecules but none of them is complete to be eligible for drug-like molecule) produces drug-like molecules. sine ...
Are generative models actually used in practice for industrial drug design?
I just finished reading this paper MoFlow: An Invertible Flow Model for Generating Molecular Graphs. The paper, which is about generating molecular graphs with certain chemical properties improved the ...
Is there any research on the application of AI for drug design?
Is there any research on the application of AI for drug design? For example, you could train a deep learning model about current compounds, substances, structures, and their products and chemical ...