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...
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 |
---|---|
Format: | Journal article |
Language: | English |
Published: |
American Chemical Society
2017
|
Similar Items
-
3D In Vitro Human Organ Mimicry Devices for Drug Discovery, Development, and Assessment
by: Aida Rodriguez-Garcia, et al.
Published: (2020-01-01) -
Systemic evolutionary chemical space exploration for drug discovery
by: Chong Lu, et al.
Published: (2022-04-01) -
Part II: New frontiers in antibacterial drug discovery
by: Moloney, M
Published: (2016) -
Part I: New frontiers in antibacterial drug discovery
by: Moloney, M
Published: (2016) -
The iterative application of a large chemical space in the drug discovery process
by: Olena V. Savych, et al.
Published: (2021-12-01)