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Polyhedral geometry and combinatorics of an autocatalytic ecosystem
Develo** a mathematical understanding of autocatalysis in reaction networks has both theoretical and practical implications. We review definitions...
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Computational combinatorics of hyperplane colorings of 6D-hypercube for all irreducible representations and applications
Computational generating function techniques are outlined for combinatorics of colorings of all hyperplanes of the 6D-hypercube for 65 irreducible...
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Computational multinomial combinatorics for colorings of 5D-hypercubes for all irreducible representations and applications
We have developed computational multinomial techniques for colorings of 5D-hypercubes for all irreducible representations of the five-dimensional...
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Automated fragment formula annotation for electron ionisation, high resolution mass spectrometry: application to atmospheric measurements of halocarbons
BackgroundNon-target screening consists in searching a sample for all present substances, suspected or unknown, with very little prior knowledge...
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Thermocycle and Evolutionary Combinatorics in the Genesis and Evolution of Protobiopolymers. Basic Kinetic Principles
The basic kinetic principles of genesis and evolution of protobiopolymeric molecules are discussed. An approach combining polymerization and...
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Fresh Food Quality Deterioration Detection and Labeling: a Review of Recent Research and Application in Supply Chain
The demand for fresh food has become a frequent high demand commodity in everyday living and accounts for a larger share of the retail consumer...
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Computer-Aided Drug Design: from Discovery of Novel Pharmaceutical Agents to Systems Pharmacology
AbstractNew drug discovery is based on analysis of existing information about the pathological mechanisms, molecular targets, and ligands, which can...
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Inductive proof of Borchardt’s theorem
We provide a (strong) inductive proof of Borchardt’s theorem for calculating the permanent of a Cauchy matrix via the determinants of auxiliary...
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Topological Analysis of Folded Linear Molecular Chains
The topology of folded linear polymers such as proteins and nucleic acids is a key aspect of their structure. Circuit topology is a mathematically...
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Pure quadratization and solution of ordinary differential equations by probabilistic evolution theory with concurrent computation of coefficients using exact arithmetic
Probabilistic evolution theory provides a promising method for the solution of ordinary differential equations with multinomial right hand side...
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Orthogonal polynomials through complex matrix graph theory
We have employed direct complex matrix graph theory techniques to generate orthogonal polynomials such as Hermite polynomials, Chebyshev polynomials...
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Patient: Health Relation and Digital Health Entrepreneurship
The easiest benefit to achieve using digital solutions is a patient’s adherence to the disease. By engaging with the disease through an app, patients...
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Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies
Cycloarenes such as kekulenes, septulenes and extended kekulenes are of considerable interest as they are precursors to holey nanographene with pores...
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Surge : a fast open-source chemical graph generatorChemical structure generators are used in cheminformatics to produce or enumerate virtual molecules based on a set of boundary conditions. The result...
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Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes
AbstractWe obtain the characteristic polynomials and a number of spectral-based indices such as the Riemann-Zeta functional indices and spectral...
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RETRACTED CHAPTER: Computational and Informatics Methodologies in Drug Discovery, with Focus on Natural Products
In the field of biomedical research, innovations for develo** novel therapeutic drugs are one of the distinguished assignments that are...
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Toward Practical Applications
So far, we have explained why we have to learn first how to evaluate the fundamental properties (DOS and band dispersion) of pristine bulk, using the...
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Medicinal Plants for Indigenous Cancer Drug Discovery: Current to Future
Medicinal plants serve as a rich source of therapeutic modalities against various diseases especially cancer, which gained attention by researchers,...