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iQSPR in XenonPy: A Bayesian Molecular Design Algorithm
iQSPR is an inverse molecular design algorithm based on Bayesian inference that was developed in our previous study. Here, the algorithm is integrated in Python as a new module called iQSPR‐X in the all‐in‐one materials informatics platform XenonPy. Our new software provides a flexible, easy‐to‐use,...
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| Foilsithe in: | Mol Inform |
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| Main Authors: | , , , , |
| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
John Wiley and Sons Inc.
2019
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| Ábhair: | |
| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7050509/ https://ncbi.nlm.nih.gov/pubmed/31841276 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201900107 |
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