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Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 2019, Volume 116, Issue 12, pp. 5387 - 5392
Journal Article
Metabolomics, ISSN 1573-3882, 6/2015, Volume 11, Issue 3, pp. 684 - 695
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2017, Volume 56, Issue 28, pp. 8079 - 8082
We designed and conducted a series of primordial‐soup Miller‐Urey style experiments with deuterated gases and reagents to compare the spark‐discharge products... 
origin of life | analytical chemistry | Miller–Urey experiment | systems chemistry | deuterium | spark discharge | ORIGINS | Miller-Urey experiment | PRINCIPAL COMPONENT ANALYSIS | AMINO-ACIDS | ISOTOPE | CHEMISTRY, MULTIDISCIPLINARY | LIFE | Hydrogen | Deuterium | Gases | Hydrogen storage | Reagents | Amino acids | Deuteration | Species | Discharge | Communications | Communication
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2017, Volume 129, Issue 28, pp. 8191 - 8194
We designed and conducted a series of primordial‐soup Miller‐Urey style experiments with deuterated gases and reagents to compare the spark‐discharge products... 
Deuterium | Systemchemie | Funkenentladung | Ursprung des Lebens | Miller-Urey-Experiment | Hydrogen
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2017, Volume 129, Issue 28, p. 8191
We designed and conducted a series of primordial-soup Miller-Urey style experiments with deuterated gases and reagents to compare the spark-discharge products... 
Deuterium | Gases | Hydrogen storage | Reagents | Amino acids | Deuteration | Species | Discharge
Journal Article
Metabolites, ISSN 2218-1989, 06/2014, Volume 4, Issue 2, pp. 433 - 452
Missing values are known to be problematic for the analysis of gas chromatography-mass spectrometry (GC-MS) metabolomics data. Typically these values cover... 
metabolomics | supervised learning | missing values | unsupervised learning
Journal Article
ACS Central Science, ISSN 2374-7943, 07/2018, Volume 4, Issue 7, pp. 793 - 804
Recently, automated robotic systems have become very efficient, thanks to improved coupling between sensor systems and algorithms, of which the latter have... 
GENETIC ALGORITHMS | SUPPORT VECTOR MACHINES | FLOW CHEMISTRY | NEURAL-NETWORKS | NOVELTY DETECTION | HIGH-THROUGHPUT | DRUG DISCOVERY | OPTIMIZATION | PART 2 | CHEMISTRY, MULTIDISCIPLINARY | MULTIVARIATE CALIBRATION | Outlook
Journal Article
Nature Reviews Chemistry, ISSN 2397-3358, 02/2019, Volume 3, Issue 2, pp. 119 - 128
Although extending the reactivity of a given class of molecules is relatively straightforward, the discovery of genuinely new reactivity and the molecules that... 
GENETIC ALGORITHMS | NEURAL-NETWORKS | EVOLUTION | COMBINATORIAL CHEMISTRY | PRODUCTS | HIGH-THROUGHPUT DISCOVERY | OPTIMIZATION | INTELLIGENT | SELECTION | CHEMISTRY, MULTIDISCIPLINARY | CATALYSTS
Journal Article
Communications Chemistry, ISSN 2399-3669, 12/2019, Volume 2, Issue 1, pp. 1 - 8
The direct glycosylation of ribose by nucleobases offers an intuitive route to nucleosides, but is known to be challenging under prebiotically plausible... 
Journal Article
Chem, ISSN 2451-9294, 09/2016, Volume 1, Issue 3, pp. 494 - 504
Multidrug-resistant bacteria are a major threat to human health, but broad-spectrum antibiotics are losing efficacy. There is a need to screen a given drug... 
SDG3: Good health and well-being | SDG6: Clean water and sanitation | SDG9: Industry, innovation, and infrastructure | REACTIONWARE | CHIP | DEVICES | CHEMICAL-SYNTHESIS | MECHANISMS | CHEMISTRY, MULTIDISCIPLINARY | POLYMYXIN-B
Journal Article
2015
In the last two decades chemometrics has become an essential tool for the experimental biologist and chemist. The level of contribution varies strongly... 
Chemometrics
Dissertation
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