Linear Response Theory of Evolved Metabolic Systems [PDF]
, 2022 Predicting cellular metabolic states is a central problem in biophysics. Conventional approaches, however, sensitively depend on the microscopic details of individual metabolic systems. In this Letter, we derived a universal linear relationship between the metabolic responses against nutrient conditions and metabolic inhibition, with the aid of a ...
arxiv +1 more source
Quantitative Structure–Activity Relationship (QSAR) Studies of Some Glutamine Analogues for Possible Anticancer Activity [PDF]
, 2018 A Quantitative Structure–Activity Relationship (QSAR) study was performed to predict an anticancer activity in tumor cells of thirty-six 5-N-substituted-2-(substituted benzenesulphonyl) glutamines compounds using the electronic and topologic descriptors ...
S. Chtita, M. A. Ajana, M. Bouachrine, T. Lakhlifi, B. Elidrissi, A. Ousaa, M. Ghamali,
core +2 more sources
Relating Anaerobic Digestion Microbial Community and Process Function [PDF]
, 2016 Anaerobic digestion (AD) involves a consortium of microorganisms that convert substrates into biogas containing methane for renewable energy. The technology has suffered from the perception of being periodically unstable due to limited understanding of ...
Bocher, Benjamin T.W. +3 more
core +3 more sources
Synthesis and Quantitative Structure–Activity Relationship of Imidazotetrazine Prodrugs with Activity Independent of O6-Methylguanine-DNA-methyltransferase, DNA Mismatch Repair and p53. [PDF]
, 2013 The antitumor prodrug Temozolomide is compromised by its dependence for activity on DNA mismatch repair (MMR) and the repair of the chemosensitive DNA lesion, O6-methylguanine (O6-MeG), by O6-methylguanine-DNA-methyltransferase (EC 2.1.1.63, MGMT). Tumor
Arris C. E. +42 more
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The problem of the relationship qualitative data, quantitative data in general statistics [PDF]
arXiv, 2022 The disjunction between nature and science is studied, together with the need to modify the conception of natural science vs artificial science, related to the perspective of objectivity and subjectivity, to end with the explanation of the process of polarization of methodologies and the relationship between mixed data, as a possibility of unification ...
arxiv
Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents [PDF]
, 2007 In the present study, the antifungal activity of some 1-benzylbenzimidazole derivatives against yeast Saccharomyces cerevisiae was investigated. The tested benzimidazoles displayed in vitro antifungal activity and minimum inhibitory concentration (MIC ...
Barna Dijana J. +2 more
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An illustrative example of the relationship between dissipation and relative entropy [PDF]
Phys. Rev. E 79, 021106 (2009), 2009 Kawai, Parrondo, and Van den Broeck [Phys. Rev. Lett. 98, 080602 (2007)] have recently established a quantitative relationship between dissipated work and a microscopic, information-theoretic measure of irreversibility. We illustrate this result using the exactly solvable system of a Brownian particle in a dragged harmonic trap.
arxiv +1 more source
Quantitative structure-activity relationship to elucidate human CYP2A6 inhibition by organosulfur compounds [PDF]
, 2019 CYP2A6 is a human enzyme responsible for the metabolic elimination of nicotine, and it is also involved in the activation of procarcinogenic nitrosamines, especially those present in tobacco smoke.
Camargo, Alejandra Beatriz +3 more
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Prediction of terpenoid toxicity based on a quantitative structure–activity relationship model [PDF]
, 2019 Terpenoids, including monoterpenoids (C10), norisoprenoids (C13), and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites with highly diverse chemical structures. A quantitative structure–activity
Câmara, José S. +3 more
core +1 more source
Imputation versus prediction: applications in machine learning for drug discovery [PDF]
, 2020 Imputation is a powerful statistical method that is distinct from the predictive modelling techniques more commonly used in drug discovery. Imputation uses sparse experimental data in an incomplete dataset to predict missing values by leveraging ...
Conduit, Gareth J +4 more
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