Add to ORKGDescription Package for calculating aggregated isotopic distribution and exact center-masses for chemical substances (in this version composed of C, H, N, O and S). This is an implementation of the BRAIN algorithm described in the paper b
In untargeted metabolomics, multiple ions are often measured for each original metabolite, including...
The isotopomer distributions of metabolites are invaluable pieces of information in the computation ...
Molecule 1 illustrates the absolute reference system where each of the 6 atoms adopt absolute positi...
This Letter presents the R-package implementation of the recently introduced polynomial method for c...
This article presents a memory efficient algorithm for accurately calculating the isotopic fine stru...
This paper presents a new method for efficiently calculating the exact masses in an isotopic distrib...
This paper presents a new method for calculating accurate masses of isotopic peaks. It is based on b...
An algorithm has been developed for rapidly and accurately simulating isotopic peak patterns of such...
Motivation: Labelling experiments in biology usually make use of isotopically-enriched substrates, w...
We introduce a simplified computational algorithm for computing isotope distributions (relative abun...
Abstract:- This paper describes how the isotope patterns are calculated for chemists, students, lect...
This article describes the anticipated software learning tool to calculate the isotope pattern for e...
AbstractThis paper presents and proves an algorithm to calculate the isotopic composition of individ...
The composition of stable-isotope labelled isotopologues/isotopomers in metabolic products can be me...
Background The knowledge of metabolic pathways and fluxes is important to understand the adaptati...
In untargeted metabolomics, multiple ions are often measured for each original metabolite, including...
The isotopomer distributions of metabolites are invaluable pieces of information in the computation ...
Molecule 1 illustrates the absolute reference system where each of the 6 atoms adopt absolute positi...
This Letter presents the R-package implementation of the recently introduced polynomial method for c...
This article presents a memory efficient algorithm for accurately calculating the isotopic fine stru...
This paper presents a new method for efficiently calculating the exact masses in an isotopic distrib...
This paper presents a new method for calculating accurate masses of isotopic peaks. It is based on b...
An algorithm has been developed for rapidly and accurately simulating isotopic peak patterns of such...
Motivation: Labelling experiments in biology usually make use of isotopically-enriched substrates, w...
We introduce a simplified computational algorithm for computing isotope distributions (relative abun...
Abstract:- This paper describes how the isotope patterns are calculated for chemists, students, lect...
This article describes the anticipated software learning tool to calculate the isotope pattern for e...
AbstractThis paper presents and proves an algorithm to calculate the isotopic composition of individ...
The composition of stable-isotope labelled isotopologues/isotopomers in metabolic products can be me...
Background The knowledge of metabolic pathways and fluxes is important to understand the adaptati...
In untargeted metabolomics, multiple ions are often measured for each original metabolite, including...
The isotopomer distributions of metabolites are invaluable pieces of information in the computation ...
Molecule 1 illustrates the absolute reference system where each of the 6 atoms adopt absolute positi...