Chemical space mimicry for drug discovery

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...

书目详细资料
Main Authors:	Yuan, W, Jiang, D, Nambiar, D, Liew, L, Hay, M, Bloomstein, J, Lu, P, Turner, B, Le, Q, Tibshirani, R, Khatri, P, Moloney, M, Koong, A
格式:	Journal article
语言:	English
出版:	American Chemical Society 2017

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