AIMC Topic: Toxicity Tests, Acute

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Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes.

Chemical research in toxicology May 17, 2019
Quantitative structure-activity relationships (QSAR) are introduced to predict acute oral toxicity (AOT), by using the QuBiLS-MAS (acronym for quadratic, bilinear and N-Linear maps based on graph-theoretic electronic-density matrices and atomic weigh...
Administration, Oral Quantitative Structure-Activity Relationship Toxicity Tests, Acute Humans Animals Support Vector Machine Cluster Analysis
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Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space.

Journal of chemical information and modeling Jan 23, 2019
Acute toxicity is one of the most challenging properties to predict purely with computational methods due to its direct relationship to biological interactions. Moreover, toxicity can be represented by different end points: it can be measured for dif...
Toxicity Tests, Acute Endpoint Determination Animals Deep Learning Models, Theoretical
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Evaluation of Aristolochia indica L. and Piper nigrum L. methanol extract against centipede Scolopendra moristans L. using Wistar albino rats and screening of bioactive compounds by high pressure liquid chromatography: a polyherbal formulation.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie Nov 28, 2017
The present study was aimed to explore the anti-venom activity of Aristolochia indica and Piper nigrum plants against the centipede (Scolopendra moristans) envenomation in animal model. In vtiro phytochemical, antioxidant and blocking of proteolysis ...
Toxicity Tests, Acute Annelida Antivenins Aristolochia Humans Venoms Methanol Electrolytes Animals Chromatography, High Pressure Liquid Organ Specificity Phytotherapy Antioxidants Behavior, Animal Lipids Piper nigrum Antineoplastic Agents Plant Extracts Proteolysis Phytochemicals Cell Line, Tumor Rats, Wistar Mice
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A new cyclic lipopeptide isolated from Bacillus amyloliquefaciens HAB-2 and safety evaluation.

Pesticide biochemistry and physiology Aug 31, 2017
Bacillus is the most widely studied biocontrol agent and has been extensively used in the development of biopesticides and fungicides. In this study, a new cyclic lipopeptide was isolated from Bacillus amyloliquefaciens HAB-2 by column chromatography...
Toxicity Tests, Acute Embryo, Nonmammalian Chromatography, Liquid Biological Control Agents Zebrafish Animals Molecular Structure Lipopeptides Spectrum Analysis Colletotrichum Microbial Sensitivity Tests Fungicides, Industrial Peptides, Cyclic Teratogens Bacillus amyloliquefaciens
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Profiling mechanisms that drive acute oral toxicity in mammals and its prediction via machine learning.

Toxicological sciences : an official journal of the Society of Toxicology May 12, 2023
We present a mechanistic machine-learning quantitative structure-activity relationship (QSAR) model to predict mammalian acute oral toxicity. We trained our model using a rat acute toxicity database compiled by the US National Toxicology Program. We ...
Machine Learning Mammals Quantitative Structure-Activity Relationship Toxicity Tests, Acute Databases, Factual Animals Rats
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Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods.

Current computer-aided drug design Jan 1, 2021
AIMS: Prediction of oral acute toxicity of organophosphates using QSAR methods.
Lethal Dose 50 Toxicity Tests, Acute Neural Networks, Computer Pesticides Algorithms Linear Models Reproducibility of Results Quantitative Structure-Activity Relationship Models, Molecular Administration, Oral Organophosphates
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Hybrid Design of Isonicotinic Acid Hydrazide Derivatives: Machine Learning Studies, Synthesis and Biological Evaluation of their Antituberculosis Activity.

Current drug discovery technologies Jan 1, 2020
BACKGROUND: Tuberculosis (TB) is an infection disease caused by Mycobacterium tuberculosis (Mtb) bacteria. One of the main causes of mortality from TB is the problem of Mtb resistance to known drugs.
Humans Machine Learning Animals Antitubercular Agents Tuberculosis, Multidrug-Resistant Mycobacterium tuberculosis Drug Design Microbial Sensitivity Tests Models, Chemical Toxicity Tests, Acute Isoniazid Rifampin Datasets as Topic Daphnia
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Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR models.

Environmental science. Processes & impacts Mar 22, 2017
According to the European REACH Directive, the acute toxicity towards Daphnia magna should be assessed for any industrial chemical with a market volume of more than 1 t/a. Therefore, it is highly recommended to determine the toxicity at a certain con...
Quantitative Structure-Activity Relationship Toxicity Tests, Acute Quaternary Ammonium Compounds Algorithms Models, Theoretical Water Pollutants, Chemical Animals Support Vector Machine Surface-Active Agents Daphnia
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