For questions related to drug design using or that involve artificial intelligence techniques.
Questions tagged [drug-design]
4 questions
8
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3 answers
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 reactions from the existing dataset (basically what…
kenorb
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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 SOTA at the time of writing by a bit and used a…
Adriaan
- 61
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0
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1 answer
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 (intervention) to users, how would it impact their…
anwartheravian
- 101
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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 GANs trained on cats images will generate fake…
Vinay Sharma
- 101