Questions tagged [drug-design]

For questions related to drug design using or that involve artificial intelligence techniques.

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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 (...
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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 ...
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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 ...
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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 ...
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