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https://arxiv.org/abs/1603.00856
**At a glance**: Related to virtual screening #45. Similar to #52, provides an alternative molecular fingerprint for chemical compounds. This paper uses graph convo…
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http://arxiv.org/abs/1509.09292
**At a glance**: Related to virtual screening #45. Molecular fingerprints are one standard way to featurize chemical compounds for virtual screening. This paper adap…
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**Description:**
'
- RDKit Version:'2018.03.1'
- Platform: OSX 10.13.4
Trying to create fingerprints of different sizes using the `fpSize` keyboard argument. However when passing that a…
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https://arxiv.org/abs/1502.02072
**At a glance**: Related to virtual screening #45. A supervised learning approach to drug discovery where molecular fingerprints are the input to a multitask classif…
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https://arxiv.org/abs/1510.02855
**At a glance**: Related to virtual screening #45. This approach does not use molecular fingerprints but rather the structural properties of ligand-protein target in…
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https://arxiv.org/abs/1706.06689
> In the last few years, we have seen the transformative impact of deep learning in many applications, particularly in speech recognition and computer vision. Inspi…
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```
rdkit version: 2015.09.1
platform: Ubuntu 16.04
```
I'm a bit fresh to this and still trying to wrap my head around circular fingerprints (so my apologies for inevitable mistakes). It appears …
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I saw that there is a nodejs library to handle molecular fingerprint, might be worth exploring if investigate can expose the service without having to maintain a public one ourselves?
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https://arxiv.org/abs/1706.06689
> In the last few years, we have seen the transformative impact of deep learning in many applications, particularly in speech recognition and computer vision. Inspi…
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http://arxiv.org/abs/1406.1231
Related to virtual screening #45.