Results 51 to 60 of about 17,173,168 (192)

Constructing and visualizing chemical reaction networks from pi-calculus models [PDF]

Formal Aspects of Computing, 2013
Abstract The π -calculus, in particular its stochastic version the stochastic π -calculus, is a common modeling formalism to concisely describe the chemical reactions occurring in biochemical systems.
Mathias John, Hans-Jörg Schulz, Heidrun Schumann, Adelinde M. Uhrmacher, Andrea Unger   +4 more
openaire   +4 more sources

A scalable algorithm to explore the Gibbs energy landscape of genome-scale metabolic networks. [PDF]

PLoS Computational Biology, 2012
The integration of various types of genomic data into predictive models of biological networks is one of the main challenges currently faced by computational biology.
Daniele De Martino, Matteo Figliuzzi, Andrea De Martino, Enzo Marinari   +3 more
doaj   +1 more source

Is EC class predictable from reaction mechanism? [PDF]

, 2012
We thank the Scottish Universities Life Sciences Alliance (SULSA) and the Scottish Overseas Research Student Awards Scheme of the Scottish Funding Council (SFC) for financial support.Background: We investigate the relationships between the EC (Enzyme ...
John BO Mitchell, Neetika Nath, Nath Neetika, Mitchell John BO, Nath, Neetika, Mitchell, John B. O.   +5 more
core   +1 more source

Modeling the Impact of Moderate External UV Irradiation on Disk Chemistry

The Astrophysical Journal
The chemistry within a protoplanetary disk is greatly affected by external radiation from the local stellar environment. Previous work has focused on extreme radiation fields, representative of the center of something like the Orion Nebula Cluster ...
Rachel E. Gross, L. Ilsedore Cleeves
doaj   +1 more source

Artificial chemical reaction optimization of neural networks for efficient prediction of stock market indices

Ain Shams Engineering Journal, 2017
The underlying system models of time series prediction are complex and not known a priori, hence, accurate and unbiased estimation cannot be always achieved using well known linear techniques.
S.C. Nayak, B.B. Misra, H.S. Behera
doaj   +1 more source

Chemical Reaction Spectrum [PDF]

, 2018
We proposed a new method of chemical reaction spectrum (CRS) in terms of chemical characterization, and established a method to fulfill it by combining with 3D chemical printing technology and 2D sampling.
Qiannan, Duan, Ruixing, Tian, Jianghong, Li, Jiayuan, Chen, Guodong, Ma, Yunjin, Feng, Sifan, Bi, Fenli, Liu, Yachao, Lian, Ruen, Luo, Jianchao, Lee   +10 more
core   +1 more source

Disentangling CO Chemistry in a Protoplanetary Disk Using Explanatory Machine-learning Techniques

The Astrophysical Journal
Molecular abundances in protoplanetary disks are highly sensitive to the local physical conditions, including gas temperature, gas density, radiation field, and dust properties.
Amina Diop, L. Ilsedore Cleeves, Dana E. Anderson, Jamila Pegues, Adele Plunkett   +4 more
doaj   +1 more source

Investigations of Ultraviolet Spectral Approximations for Computing Photodissociation and Photoionization Reaction Rates

The Astronomical Journal
The chemical composition of protoplanetary disks, especially in the molecular layer and above, is set by photoprocesses driven by stellar radiation fields.
Jamila Pegues, L. Ilsedore Cleeves, Karin Öberg, Edwin A. Bergin, Ewine F. van Dishoeck, Valentine Wakelam   +5 more
doaj   +1 more source

Hybrid Chemical and Data-Driven Model for Stiff Chemical Kinetics Using a Physics-Informed Neural Network

Engineering Proceedings
Models of chemical kinetic processes, comprising systems of stiff ordinary differential equations (ODEs), are essential for modeling important chemical reactions relevant to drinking water chemistry, such as disinfectant decay and disinfection byproduct ...
Matthew Frankel, Mario De Florio, Enrico Schiassi, Lina Sela   +3 more
doaj   +1 more source

Atmospheric reaction systems as null-models to identify structural traces of evolution in metabolism. [PDF]

PLoS ONE, 2011
The metabolism is the motor behind the biological complexity of an organism. One problem of characterizing its large-scale structure is that it is hard to know what to compare it to. All chemical reaction systems are shaped by the same physics that gives
Petter Holme, Mikael Huss, Sang Hoon Lee
doaj   +1 more source