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The newly developed descriptor has potential for accurate prediction.
In this paper, SVM was chosen to evaluate the capability of the developed descriptor.
Although both Guyon et al. [14] and Fröhlich et al. [15], for example, have developed descriptor selection methods for SVM, an SVM model built on the entire set of descriptors and using the optimized parameters from the WAAC algorithm actually performs slightly better on the external test set.
The classification results by SVM for the developed descriptor, ECFP [14], the property descriptor and graph kernels (AE [15], ST [16], EST [17], WLST [18], ERW [19] and OA [20]) are summarized in Fig. 4.
We present the use of the developed descriptor sets for predictive modeling of Langmuir isotherms for proteins at different pH values between pH 5 and 10 and varying ionic strength in the range of 10 100 mM.
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To address these issues, we propose Mordred, a developed descriptor-calculation software application that can calculate more than 1800 two- and three-dimensional descriptors.
For these data, we developed models for both qualitative (azeotrope/zeotrope) and quantitative endpoints (density and bubble points) using different learning methods and specially developed descriptors for mixtures.
This project segmentalized six levels into 12 levels (Pre-A1, A1.1, A1.2, A1.3, A2.1, A2.2, B1.1, B1.2, B2.1, B2.2, C1, and C2) and developed descriptors to each level and skill (Tono, 2013).
In addition to its influence on curricula/syllabi and assessment, the methods in developing descriptor pools, collecting data, and constructing and interpreting scales (North 2000) have proved of practical use and been adopted in similar projects.
The prediction of trans-bilayer transport rates remains elusive, despite tremendous efforts to develop descriptors of compounds that would correlate with this property.
We have developed a descriptor generation method which is independent of tautomer and valence structure representation to address this problem and will illustrate its application to the atomic descriptors used in S+pKa, which is our global model of protic ionization constants.
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