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For virtual screening and similarity searching numerous descriptors can be employed to represent molecular structures and properties.
The QSAR model developed using numerous descriptors revealed its potential with the best effective statistical values of RMSE = 1.52 and r2 = 0.30.
It can calculate numerous descriptors, and it has several interfaces, such as a GUI, CLI, web (e-Dragon [23], which is based on an older free version of Dragon), and KNIME.
(2248) Neural network models with numerous descriptors were used to predict oral bioavailability.
(1296) A classification scheme for high and low urinary excretion of drugs was created using numerous descriptors processed by linear discriminant analysis and recursive partitioning.
Numerous descriptors were utilized in the stepwise regression analysis, the fuzzy adaptive regression analysis, 2348) the variable selection by the genetic algorithms, 2349) the PLS regression, and neural networks to create the empirical models of the volume of distribution.
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For instance, no mention of a patient population earns 0 points (not evident), the use of a general patient identifier is a limited answer (2 points), mentioning a single specific patient descriptor is a strong answer (4 points), and using numerous relevant descriptors is excellent (6 points).
Calculate numerous molecular descriptors of each compound in the datasets.
There are numerous topological descriptors that have some applications in theoretical chemistry.
To achieve this goal, we have designed the computational model consisting of numerous molecular descriptors.
However, texture analysis in digital images is not a trivial task and numerous texture descriptors have been proposed.
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CEO of Professional Science Editing for Scientists @ prosciediting.com