K. Yosida, Functional Analysis. (Die Grundlehren der mathematischen Wissenschaften, Band 123) XII + 458 S. Berlin/Heidelberg/New York 1965. Springer‐Verlag. Preis geb. DM 66, —

Topological data analysis is a family of recent mathematical techniques seeking to understand the ‘shape’ of data, and has been used to understand the structure of the descriptor space produced from a standard chemical informatics software from the point of view of solubility. We have used the mapper algorithm, a TDA method that creates low-dimensional representations of data, to create a network visualization of the solubility space. While descriptors with clear chemical implications are prominent features in this space, reflecting their importance to the chemical properties, an unexpected and interesting correlation between chlorine content and rings and their implication for solubility prediction is revealed. A parallel representation of the chemical space was generated using persistent homology applied to molecular graphs. Links between this chemical space and the descriptor space were shown to be in agreement with chemical heuristics. The use of persistent homology on molecular graphs, extended by the use of norms on the associated persistence landscapes allow the conversion of discrete shape descriptors to continuous ones, and a perspective of the application of these descriptors to quantitative structure property relations is presented.Electronic supplementary materialThe online version of this article (10.1186/s13321-018-0308-5) contains supplementary material, which is available to authorized users.

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“…Please refer to e.g. Chapters 1, 2 and Appendix 1 in [27] for the definitions of mathematical terms not explained in the text.…”

Section: Methodsmentioning

confidence: 99%

Improved understanding of aqueous solubility modeling through topological data analysis

et al. 2018

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“…Loss of the Put1 function contributes to an increase of the intracellular proline content (Takagi et al, 2000). Nitrogen catabolite repression (NCR) transcriptionally represses both the PUT1 and PUT2 genes (Hofman-Bang, 1999;Georis et al, 2009), which are positively regulated by the transcription activator Put3 (Ann et al, 1996). NCR prevents the utilization of proline as a nitrogen source when rich nitrogen compounds, such as ammonia and glutamine, are present.…”

Section: Amino Acids Involved In Stress Responsementioning

confidence: 99%

Proline Homeostasis in Saccharomyces cerevisiae: How Does the Stress-Responsive Transcription Factor Msn2 Play a Role?

Nanyan

2020

Front. Genet.

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Overexpression of MSN2, which is the transcription factor gene in response to stress, is well-known to increase the tolerance of the yeast Saccharomyces cerevisiae cells to a wide variety of environmental stresses. Recent studies have found that the Msn2 is a feasible potential mediator of proline homeostasis in yeast. This result is based on the finding that overexpression of the MSN2 gene exacerbates the cytotoxicity of yeast to various amino acid analogs whose uptake is increased by the active amino acid permeases localized on the plasma membrane as a result of a dysfunctional deubiquitination process. Increased understanding of the cellular responses induced by the Msn2-mediated proline incorporation will provide better comprehension of how cells respond to and counteract to different kinds of stimuli and will also contribute to the breeding of industrial yeast strains with increased productivity.

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Zur Konstruktion eindimensionaler homogener Markoffscher Prozesse

Eifrig

1969

Z. Wahrscheinlichkeitstheorie verw Gebiete

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K. Yosida, Functional Analysis. (Die Grundlehren der mathematischen Wissenschaften, Band 123) XII + 458 S. Berlin/Heidelberg/New York 1965. Springer‐Verlag. Preis geb. DM 66, —

Cited by 49 publications

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Improved understanding of aqueous solubility modeling through topological data analysis

Improved understanding of aqueous solubility modeling through topological data analysis

Proline Homeostasis in Saccharomyces cerevisiae: How Does the Stress-Responsive Transcription Factor Msn2 Play a Role?

Zur Konstruktion eindimensionaler homogener Markoffscher Prozesse

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