Chemical Space Mimicry for Drug Discovery

We describe a new library generation method, Machine-based Identification of Molecules Inside Characterized Space (MIMICS), that generates sets of molecules inspired by a text-based input. MIMICS-generated libraries were found to preserve distributions of properties while simultaneously increasing s...

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Foilsithe in:J Chem Inf Model
Main Authors: Yuan, William, Jiang, Dadi, Nambiar, Dhanya K., Liew, Lydia P., Hay, Michael P., Bloomstein, Joshua, Lu, Peter, Turner, Brandon, Le, Quynh-Thu, Tibshirani, Robert, Khatri, Purvesh, Moloney, Mark G., Koong, Albert C.
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2017
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Article
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5802964/
https://ncbi.nlm.nih.gov/pubmed/28257191
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00754
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