| ... | @@ -34,6 +34,7 @@ In addition, please be aware of the Bioteque project maintained by the SB&NB. |
... | @@ -34,6 +34,7 @@ In addition, please be aware of the Bioteque project maintained by the SB&NB. |
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* Calculates several fingerprints and also does 3D conformational sampling.
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* Calculates several fingerprints and also does 3D conformational sampling.
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* [X] Silicos-IT [[web](http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/) [code](http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/biscu-it/biscu-it.html)]
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* [X] Silicos-IT [[web](http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/) [code](http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/biscu-it/biscu-it.html)]
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* It has implementations for the [chemical beauty](https://www.ncbi.nlm.nih.gov/pubmed/22270643) score (QED).
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* It has implementations for the [chemical beauty](https://www.ncbi.nlm.nih.gov/pubmed/22270643) score (QED).
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* [ ] Synthetic accessibility score [[code](https://github.com/mkusner/grammarVAE/blob/master/molecule_optimization/latent_features_and_targets_character/sascorer.py)]
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### `B` Targets
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### `B` Targets
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