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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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Detaylı Bibliyografya
Yayımlandı:Mol Inform
Asıl Yazarlar: Wu, Stephen, Lambard, Guillaume, Liu, Chang, Yamada, Hironao, Yoshida, Ryo
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: John Wiley and Sons Inc. 2019
Konular:
Online Erişim: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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