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The Kov\'ats Retention index (RI) is a quantity measured using gas chromatography and commonly used in the identification of chemical structures. Creating libraries of observed RI values is a laborious task, so we explore the use of a deep neural net
Externí odkaz:
http://arxiv.org/abs/2401.01506
Autor:
Duke, Daniel J, Rao, Lingzhe, Kastengren, Alan, Myatt, Benjamin, Cocks, Phil, Stein, Stephen, Marasini, Nirmal, Ong, Hui Xin, Young, Paul
A challenge in pressurised metered-dose inhaler formulation design is management of adhesion of the drug to the canister wall, valve and actuator internal components and surfaces, especially for sedimenting or creaming suspensions. Visual analysis of
Externí odkaz:
http://arxiv.org/abs/2309.16999
The unbounded permutations of biological molecules, including proteins and their constituent peptides, presents a dilemma in identifying the components of complex biosamples. Sequence search algorithms used to identify peptide spectra can be expanded
Externí odkaz:
http://arxiv.org/abs/2305.09513
Autor:
Goecker, Zachary C., Burke, Meghan C., Remoroza, Concepcion A., Liu, Yi, Mirokhin, Yuri A., Sheetlin, Sergey L., Tchekhovskoi, Dmitrii V., Yang, Xiaoyu, Stein, Stephen E.
Publikováno v:
In Molecular & Cellular Proteomics September 2024 23(9)
