Silicon nanostructures toxicity. An ab inito approach [PDF]
arXiv, 2013 Silicon nanoparticles are widely used in the medical area and until now they have not manifested toxicological effects in humans beings. In order to understand the physical properties that determine their low-toxicity, we perform ab initio computational simulations of silicon nanoclusters, pure, p-doped and hollow structured.
arxiv
Agent-based modeling: a systematic assessment of use cases and requirements for enhancing pharmaceutical research and development productivity. [PDF]
, 2013 A crisis continues to brew within the pharmaceutical research and development (R&D) enterprise: productivity continues declining as costs rise, despite ongoing, often dramatic scientific and technical advances. To reverse this trend, we offer various
Hunt, C. Anthony +4 more
core +2 more sources
Computational and Toxicological Evaluation of Thiamethoxam as Nicotinic Acetylcholine Receptor Modulator Against Cowpea Aphid, Aphis craccivora Koch. [PDF]
, 2023 Mohamed Abdelmoteleb +3 more
openalex +1 more source
Medicinal plants used in the management of diabetes mellitus 2015 [PDF]
, 2015 Diabetes mellitus is one of the common endocrine disorders prevalent in almost all of the countries. This chronic pathology is characterized by hyperglycemia caused by defective insulin action, insulin secretion, or the combination of both.
Ashafa, Anofi O. T. +5 more
core +4 more sources
A high-throughput analysis of ovarian cycle disruption by mixtures of aromatase inhibitors [PDF]
arXiv, 2016 Background: Combining computational toxicology with ExpoCast exposure estimates and ToxCast assay data gives us access to predictions of human health risks stemming from exposures to chemical mixtures. Objectives: To explore, through mathematical modeling and simulations, the size of potential effects of random mixtures of aromatase inhibitors on ...
arxiv
Living Wires - Effects of Size and Coating of Gold Nanoparticles in Altering the Electrical Properties of Physarum polycephalum and Lettuce Seedlings [PDF]
arXiv, 2015 The manipulation of biological substrates is becoming more popular route towards generating novel computing devices. Physarum polycephalum is used as a model organism in biocomputing because it can create `wires' for use in hybrid circuits; programmable growth by manipulation through external stimuli and the ability withstanding a current and its ...
arxiv
Explaining Chemical Toxicity using Missing Features [PDF]
arXiv, 2020 Chemical toxicity prediction using machine learning is important in drug development to reduce repeated animal and human testing, thus saving cost and time. It is highly recommended that the predictions of computational toxicology models are mechanistically explainable.
arxiv
Predictive Systems Toxicology [PDF]
Computational Toxicology - Methods and Protocols, series in
Methods in Molecular Biology, Springer Nature, 2017, 2018 In this review we address to what extent computational techniques can augment our ability to predict toxicity. The first section provides a brief history of empirical observations on toxicity dating back to the dawn of Sumerian civilization. Interestingly, the concept of dose emerged very early on, leading up to the modern emphasis on kinetic ...
arxiv
ToxicsSkin sensitization is a significant concern for chemical safety assessments. Traditional animal assays often fail to predict human responses accurately, and ethical constraints limit the collection of human data, necessitating a need for reliable in ...
Ricardo Scheufen Tieghi +8 more
doaj +1 more source
Tractable Bayesian Density Regression via Logit Stick-Breaking Priors [PDF]
arXiv, 2017 There is a growing interest in learning how the distribution of a response variable changes with a set of predictors. Bayesian nonparametric dependent mixture models provide a flexible approach to address this goal. However, several formulations require computationally demanding algorithms for posterior inference.
arxiv