Ontology highlight
ABSTRACT:
SUBMITTER: Yuan W
PROVIDER: S-EPMC5802964 | biostudies-literature | 2017 Apr
REPOSITORIES: biostudies-literature
Yuan William W Jiang Dadi D Nambiar Dhanya K DK Liew Lydia P LP Hay Michael P MP Bloomstein Joshua J Lu Peter P Turner Brandon B Le Quynh-Thu QT Tibshirani Robert R Khatri Purvesh P Moloney Mark G MG Koong Albert C AC
Journal of chemical information and modeling 20170403 4
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 structural diversity. Newly identified MIMICS-generated compounds were found to be bioactive as inhibitors of specific components of the unfolded protein response (UPR) and the VEGFR2 pathway in cell-b ...[more]