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Published version: http://advances.sciencemag.org/content/4/7/eaap7885
Pre-print: https://arxiv.org/abs/1711.10907
> We propose a novel computational strategy based on deep and reinforcement learn…
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[Yang, Sheng-Yong. "Pharmacophore modeling and applications in drug discovery: challenges and recent advances." *Drug discovery today* 15, no. 11-12 (2010): 444-450.](https://doi.org/10.1016/j.drudis.…
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Hello!
I just read through your strategies from 2020. Do you ever get around to doing this or perhaps have anything like a paper? I would want to do something like this or along the lines of this t…
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https://arxiv.org/abs/1704.07555
> This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to gener…
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I'm making this issue as a way to keep track of papers that might be relevant to implement in microscopium.
New UMAP paper:
https://arxiv.org/abs/1802.03426
They test UMAP on lots of different …
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https://arxiv.org/abs/1705.10843
"In unsupervised data generation tasks, besides the generation of a sample based on previous observations, one would often like to give hints to the model in order …
mrwns updated
7 years ago
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Hi, Dear authors,
It seem the predictor is just a tranditional model not a network model. Why did you say using LSTM in the predictor model in your paper? (Deep reinforcement learning for de novo d…
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Hi,
I am a doctoral student in China with a biomedical background. I have found your outstanding work in the drug screening work. I have encountered some problems in the installation and operation of…
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I saw david baker's work on building a large ring from scratch in cell, which made me very interested. I looked at the code provided in their attachment materials. It is obvious that it is not compati…
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The paper claims a validity very close to 1 (and in fragment constrained generation exactly 1 on average). Was this calculation done by looking at the validity of generated molecules, or how many mole…