Results 161 to 170 of about 165,849 (202)

In Silico Models for Hepatotoxicity

2016
In this chapter we review the challenges of predicting human hepatotoxicity. Principally, this is our partial understanding of a very complex biochemical system and our ability to emulate that in a predictive capacity. We give an overview of the published modeling approaches in this area to date and discuss their design, strengths, and weaknesses.
Mark, Hewitt, Katarzyna, Przybylak
openaire   +2 more sources

In Silico Models for Developmental Toxicity

2022
Modeling developmental toxicity has been a challenge for (Q)SAR model developers due to the complexity of the endpoint. Recently, some new in silico methods have been developed introducing the possibility to evaluate the integration of existing methods by taking advantage of various modeling perspectives. It is important that the model user is aware of
Marco, Marzo, Alessandra, Roncaglioni, Sunil, Kulkarni, Tara S, Barton-Maclaren, Emilio, Benfenati   +4 more
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Towards in silico Process Modeling for Vaccines

Trends in Biotechnology, 2021
Chemical, manufacturing, and control development timelines occupy a significant part of vaccine end-to-end development. In the on-going race for accelerating timelines, in silico process development constitutes a viable strategy that can be achieved through an artificial intelligence (AI)-driven or a mechanistically oriented approach.
Antonio Gaetano, Cardillo, Maria Monica, Castellanos, Benoit, Desailly, Sandrine, Dessoy, Marco, Mariti, Rui M C, Portela, Bernadette, Scutella, Moritz, von Stosch, Emanuele, Tomba, Christos, Varsakelis   +9 more
openaire   +2 more sources

In silico modelling of physiologic systems

Best Practice & Research Clinical Anaesthesiology, 2011
In silico modelling, in which computer models are developed to model a pharmacologic or physiologic process, is a logical extension of controlled in vitro experimentation. It is the natural result of the explosive increase in computing power available to the research scientist at continually decreasing cost.
Richard B, Colquitt, Douglas A, Colquhoun, Robert H, Thiele   +2 more
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In Silico Modeling of Crabtree Effect

Endocrine, Metabolic & Immune Disorders - Drug Targets, 2017
Glycolytic activity during Crabtree effect is similar to that in tumor cells. Research regarding Crabtree effect is very much crucial.The mechanism of metabolic activities in glycolysis pathway and oxidative phosphorylation pathway in regards to Crabtree effect in Saccharomyces cerevisiae was studied in this paper.
Debraj, Ghosh, Rajat K, De
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Cytochrome P450 in Silico: An Integrative Modeling Approach

ChemInform, 2005
AbstractFor Abstract see ChemInform Abstract in Full Text.
de Graaf, C., Vermeulen, N.P.E., Feenstra, K.A.   +2 more
openaire   +3 more sources

In Silico Models for Nanomedicine: Recent Developments

Current Medicinal Chemistry, 2018
Nanomedicine is a recent promising setting for the advancement of current medical therapies, in particular for cancer. Nanoparticle-mediated therapies are aimed to tackle extremely complex phenomena, involving different biochemical, mechanical and biophysical factors.
Pietro, Mascheroni, Bernhard Aribo, Schrefler   +1 more
openaire   +2 more sources

Metabolic modeling of microbial strains in silico

Trends in Biochemical Sciences, 2001
The large volume of genome-scale data that is being produced and made available in databases on the World Wide Web is demanding the development of integrated mathematical models of cellular processes. The analysis of reconstructed metabolic networks as systems leads to the development of an in silico or computer representation of collections of ...
M W, Covert, C H, Schilling, I, Famili, J S, Edwards, I I, Goryanin, E, Selkov, B O, Palsson   +6 more
openaire   +2 more sources

In silico ADME/Tox: why models fail

Journal of Computer-Aided Molecular Design, 2003
By way of example, we discuss the apparent 'failure' of in silico ADME/Tox models and attempt to understand the causes. Often, the interpretation of the success of models lies in their use and the expectations of the user. Other times, models are, in fact, of little value. Disappointing results can be linked to the key aspects of the model and modeling
Terry R, Stouch, James R, Kenyon, Stephen R, Johnson, Xue-Qing, Chen, Arthur, Doweyko, Yi, Li   +5 more
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In Silico Modelling of Pesticide Aquatic Toxicity

Combinatorial Chemistry & High Throughput Screening, 2014
Human activities have introduced tens of thousands of chemicals into water systems around the world which has significantly impacted water quality and aquatic ecosystems. The aim of this study was to develop an in silico QSAR model, capable of predicting the aquatic toxicity of pesticides in terms of a lethal dose (LD50) for fish without requiring the ...
Agatonović-Kuštrin, Snežana, Morton, David W., Ražić, Slavica   +2 more
openaire   +4 more sources