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Method for crystallization propensity model

Documentation:
This is a python script to generate and evaluate the accuracy of a predictive model from user-supplied training and test SMILES files of crystalline and non-crystalline molecules

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Publisher copy:
10.1039/C4CE01912A

Authors/Creators


More by this author/creator
Department:
Inorganic Chemistry
Role:
Creator

Contributors

Department:
Inorganic Chemistry
Role:
Supervisor
More from this funder
Name:
Engineering and Physical Sciences Research Council
Grant:
1378513
Publisher:
University of Oxford
Publication date:
2015
File format:
.py
Digital storage location:
http://pubs.rsc.org/en/content/articlelanding/2015/ce/c4ce01912a#!divAbstract
DOI:
UUID:
uuid:8d54d041-031a-4eec-9a39-e51a12b4e6c9
Deposit date:
2018-03-20

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