Results 31 to 40 of about 1,158,124 (312)
Verification of functional models of chemical manufacturing
Тонкие химические технологии, 2019 A generalized algorithm for the verification of functional models and the rules for the verification of diagrams related by levels of detail were developed in this paper.
E. V. Burlyaeva +3 more
doaj +1 more source
Machine Learning Models Capable of Chemical Deduction for Identifying Reaction Products
, 2023 Deductive solution strategies are required in prediction scenarios that are under determined, when contradictory information is available, or more generally wherever one-to-many non-functional mappings occur.
Qiyuan, Zhao +3 more
core +1 more source
Chemical Mechanism Solvers in Air Quality Models
Atmosphere, 2011 The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations ...
John C. Linford +3 more
doaj +1 more source
Chemical master versus chemical langevin for first-order reaction networks [PDF]
, 2008 Markov jump processes are widely used to model interacting species in circumstances where discreteness and stochasticity are relevant. Such models have been particularly successful in computational cell biology, and in this case, the interactions are ...
Higham, Desmond J., Khanin, Raya
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A Bibliometric Analysis of Publications in Uremic Toxins From 1991 to 2024
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Background Uremic toxins are a growing area of research in nephrology, with significant implications in the progression and treatment of chronic kidney disease (CKD) and the management of end‐stage kidney disease (ESKD). This bibliometric analysis aims to evaluate the global research trends, key contributors, and the impact of publications in ...
Yuh‐Shan Ho +7 more
wiley +1 more source
Parametric Kalman filter for chemical transport models
Tellus: Series A, Dynamic Meteorology and Oceanography, 2016 A computational simplification of the Kalman filter (KF) is introduced – the parametric Kalman filter (PKF). The full covariance matrix dynamics of the KF, which describes the evolution along the analysis and forecast cycle, is replaced by the dynamics ...
Olivier Pannekoucke +4 more
doaj +1 more source
Mechanism of action of coenzyme B12 : quantum-chemical considerations [PDF]
, 1980 Quantum-chemical calculations are carried out on simplified models to obtain insight in the mechanistic aspects of coenzyme ...
Merkelbach, I.I. +3 more
core +1 more source
FEBS Letters, EarlyView.Enteropathogenic E. coli (EPEC) infects the human intestinal epithelium, resulting in severe illness and diarrhoea. In this study, we compared the infection of cancer‐derived cell lines with human organoid‐derived models of the small intestine. We observed a delayed in attachment, inflammation and cell death on primary cells, indicating that host ...
Mastura Neyazi +5 more
wiley +1 more source
Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge
, 2018 Is chemistry discoverable or can it only be invented? – this is the question of a computer scientist and a philosopher of science when looking at application of artificial intelligence methods for developing new chemical entities and new chemical ...
Philipp-Maximilian, Jacob +1 more
core +1 more source
Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models [PDF]
, 2022 Chemical language models (CLMs) can be employed to design molecules with desired properties. CLMs generate new chemical structures in the form of textual representations, such as the simplified molecular input line entry system (SMILES) strings. However,
Schneider, Gisbert +4 more
core +1 more source