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English Wikipedia references for Vcclab.org 1-10 of 10
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| Artificial neural network An artificial neural network (ANN), usually called "neural network" (NN), is a mathematical model or computational model that tries to simulate the structure and/or functional aspects of biological neural networks. It consists of an interconnected group of artificial neurons and processes information using a connectionist approach to computation. Artificial_neural_network | |
| Superparamagnetism Superparamagnetism is a form of magnetism. A superparamagnetic material is composed of small ferromagnetic clusters (e.g. crystallites), but where the clusters are so small that they can randomly flip direction under thermal fluctuations. As a result, the material as a whole is not magnetized except in an externally applied magnetic field (in that respect, it is like paramagnetism). Superparamagnetism | |
| Solubility Solubility is the property of a solid, liquid, or gaseous chemical substance called solute to dissolve in a liquid solvent to form a homogeneous solution. The solubility of a substance strongly depends on the used solvent as well as on temperature and pressure. The extent of the solubility of a substance in a specific solvent is measured as the saturation concentration where adding more solute does not increase the concentration of the solution. Solubility | |
| Overfitting In statistics, overfitting occurs when a statistical model describes random error or noise instead of the underlying relationship. Overfitting generally occurs when a model is excessively complex, such as having too many degrees of freedom, in relation to the amount of data available. A model which has been overfit will generally have poor predictive performance, as it can exaggerate minor fluctuations in the data. Overfitting | |
| Partition coefficient In the fields of organic and medicinal chemistry, a partition (P) or distribution coefficient (D) is the ratio of concentrations of a compound in the two phases of a mixture of two immiscible solvents at equilibrium. Hence these coefficients are a measure of differential solubility of the compound between these two solvents.Normally one of the solvents chosen is water while the second is hydrophobic such as octanol.Bigg) Partition_coefficient | |
| ADME ADME is an acronym in pharmacokinetics and pharmacology for absorption, distribution, metabolism, and excretion, and describes the disposition of a pharmaceutical compound within an organism. The four criteria all influence the drug levels and kinetics of drug exposure to the tissues and hence influence the performance and pharmacological activity of the compound as a drug. ADME | |
| Partial least squares regression Partial least squares regression (PLS-regression) is a statistical method that bears some relation to principal components regression; instead of finding hyperplanes of minimum variance between the response and independent variables, it finds a linear model by projecting the predicted variables and the observable variables to a new space. Because both the X and Y data are projected to new spaces, the PLS family of methods are known as bilinear factor models. Partial_least_squares_regression | |
| Chemical file format This article discusses some common molecular file formats, including usage and converting between them. It also lists a few sources for freely obtaining chemical data on the Internet. Chemical information is usually provided as files or streams and many formats have been created, with varying degrees of documentation. Chemical_file_format | |
| WikiProject Chemicals/Data Wikipedia:WikiProject_Chemicals/Data | |
| OpenBabel OpenBabel is free software, a chemical expert system mainly used for converting chemical file formats. Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix, and Mac OS. It is distributed under the GNU GPL.The project's stated goal is OpenBabel |
