Published May 23, 2025
| Version 1.0
Other
Open
Supporting Information and Raw File of "Precipitation-first Synthesis and Deep Profiling of a 1,200-Member Acrylamide Library for Covalent Drug Discovery"
Contributors
Other (2):
Researcher (7):
Supervisor:
-
1.
Palacký University Olomouc
- 2. SCIEX, Echo(R) MS Center of Excellence, Marlborough, Massachusetts, 01752, United States; SCIEX, 71 Four Valley Drive, Concord, Ontario, Canada.
- 3. AMEDIS, Bobkova 786/4, 198 00 Praha, Czech Republic
- 4. Elsci LLC, Yerevan, Armenia Arabkir district, Komitas ave 1st lane, b. 20, 0051
Description
Supporting Information and Row file related to the publication: Precipitation-first Synthesis and Deep Profiling of a 1,200-Member Acrylamide Library for Covalent Drug Discovery
- Supporting_Scripts.zip. The Python and R scripts. Refer to the README.md.
- Raw_AEMS. Raw file of the AEMS runs (both in wiff2 as well as mzml).
- Raw_UPLC . Raw files of the UPLC-MS (in .raw).
- NMR_Data.
In order to run the scripts it is needed to extract the first three files into a common workdir
Files
Supporting_Scripts.zip
Additional details
Funding
- European Commission
- AMADEUS - Automated, miniaturized and accelerated drug discovery: AMADEUS 101098001
- European Commission
- ACCELERATOR - ERA Chair for Accelerated Synthetic Chemistry Technologies at Palacký University Olomouc 101087318
- European Commission
- VIDEC - Visualizing Death Inducing Protein Complexes 872195