AIMC Topic: Chemistry, Pharmaceutical

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Application of machine learning in prediction of hydrotrope-enhanced solubilisation of indomethacin.

International journal of pharmaceutics Jul 18, 2017
Systematic in-vitro studies have been conducted to determine the ability of a range of 10 potential hydrotropes to improve the apparent aqueous solubility of the poorly water soluble drug, indomethacin. Solubilisation of the drug in the presence of t...
Solubility Chemistry, Pharmaceutical Indomethacin Neural Networks, Computer Machine Learning
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Artificial neural network modelling of continuous wet granulation using a twin-screw extruder.

International journal of pharmaceutics Feb 3, 2017
Computational modelling of twin-screw granulation was conducted by using an artificial neural network (ANN) approach. Various ANN configurations were considered with changing hidden layers, nodes and activation functions to determine the optimum mode...
Neural Networks, Computer Models, Theoretical Chemistry, Pharmaceutical
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Classification of sphingosine kinase inhibitors using counter propagation artificial neural networks: A systematic route for designing selective SphK inhibitors.

SAR and QSAR in environmental research Jan 25, 2017
Accurate and robust classification models for describing and predicting the activity of 330 chemicals that are sphingosine kinase 1 (SphK1) and/or sphingosine kinase 2 (SphK2) inhibitors were derived. The classification models developed in this work ...
Phosphotransferases (Alcohol Group Acceptor) ROC Curve Enzyme Inhibitors Chemistry, Pharmaceutical Neural Networks, Computer Algorithms Computer Simulation Drug Discovery
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An ecofriendly green liquid chromatographic method for simultaneous determination of nicotinamide and clindamycin phosphate in pharmaceutical gel for acne treatment.

Journal of food and drug analysis Dec 1, 2016
A new green micellar liquid chromatographic method was developed and validated for the quantitative estimation of nicotinamide (NICO) and clindamycin phosphate (CLD) in bulk and pharmaceutical gel formulation. The analytes are well resolved in less t...
Drug Stability Clindamycin Chemistry, Pharmaceutical Acne Vulgaris Niacinamide Limit of Detection Pharmaceutical Preparations Hydrogen-Ion Concentration Reproducibility of Results Chromatography, Liquid
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First study of the evolution of the SeDeM expert system parameters based on percolation theory: Monitoring of their critical behavior.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V Oct 18, 2016
The deep understanding of products and processes has become a requirement for pharmaceutical industries to follow the Quality by Design principles promoted by the regulatory authorities. With this aim, SeDeM expert system was developed as a useful pr...
Tablets Rheology Powders Software Time Factors Excipients Theophylline Linear Models Chemistry, Pharmaceutical Lactose Expert Systems Drug Compounding
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Estimation of design space for an extrusion-spheronization process using response surface methodology and artificial neural network modelling.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V May 14, 2016
The application of the Quality by Design principles is one of the key issues of the recent pharmaceutical developments. In the past decade a lot of knowledge was collected about the practical realization of the concept, but there are still a lot of u...
Neural Networks, Computer Surface Properties Chemistry, Pharmaceutical
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The Virtual Screening of the Drug Protein with a Few Crystal Structures Based on the Adaboost-SVM.

Computational and mathematical methods in medicine Apr 3, 2016
Using the theory of machine learning to assist the virtual screening (VS) has been an effective plan. However, the quality of the training set may reduce because of mixing with the wrong docking poses and it will affect the screening efficiencies. To...
Binding Sites Combinatorial Chemistry Techniques Chemistry, Pharmaceutical Hydrogen Cathepsin K Crystallization Protein Conformation Humans Software Algorithms Reproducibility of Results Support Vector Machine Models, Statistical Proteins Databases, Protein Area Under Curve Ligands Imaging, Three-Dimensional Protein Binding Computational Biology Drug Design ROC Curve
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Implementation of an artificial neural network as a PAT tool for the prediction of temperature distribution within a pharmaceutical fluidized bed granulator.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences Mar 15, 2016
In this study, a novel in-line measurement technique of the air temperature distribution during a granulation process using a conical fluidized bed was designed and built for the purpose of measuring the temperature under the Process Analytical Techn...
Chemistry, Pharmaceutical Drug Industry Technology, Pharmaceutical Neural Networks, Computer Temperature Reproducibility of Results Particle Size
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Formulation of Granules for Site-Specific Delivery of an Antimicrobial Essential Oil to the Animal Intestinal Tract.

Journal of pharmaceutical sciences Dec 23, 2015
Owing to proliferation of antibiotic-resistant bacteria, the use of antibiotics for livestock growth promotion is banned in many countries and alternatives to in-feed antibiotics are needed. Cinnamon essential oil exhibits strong in vitro antibacteri...
Chemistry, Pharmaceutical Acrolein Oils, Volatile Intestines Escherichia coli Drug Delivery Systems Animals Fatty Acids Powders Technology, Pharmaceutical Intestinal Mucosa Polymers Body Fluids Anti-Infective Agents
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An investigation into the usefulness of different empirical modeling techniques for better control of spray-on fluidized bed melt granulation.

International journal of pharmaceutics Nov 10, 2015
Melt granulation in fluid bed processors is an emerging technique, but literature data regarding the modeling of this granulation method are lacking. In the present study different techniques (response surface analysis, multilayer perceptron neural n...
Chemistry, Pharmaceutical Empirical Research Neural Networks, Computer Polyethylene Glycols Viscosity
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