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libsvm  (ChemAxon LLC)

 
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    ChemAxon LLC libsvm
    Statistical parameters of Online Chemical Modeling Environment (OCHEM, http://ochem.eu ) models with the lowest <t> RMSE </t> according to the “ compounds-out ” cross-validation protocol for the prediction of binary mixture densities
    Libsvm, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/svm+algorithm+libsvm+toolbox/libsvm/pmc03568005-116-12-14
    Average 90 stars, based on 1 article reviews
    libsvm - by Bioz Stars, 2026-11
    90/100 stars

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    1) Product Images from "Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)"

    Article Title: Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

    Journal: Journal of Cheminformatics

    doi: 10.1186/1758-2946-5-4

    Statistical parameters of Online Chemical Modeling Environment (OCHEM, http://ochem.eu ) models with the lowest RMSE according to the “ compounds-out ” cross-validation protocol for the prediction of binary mixture densities
    Figure Legend Snippet: Statistical parameters of Online Chemical Modeling Environment (OCHEM, http://ochem.eu ) models with the lowest RMSE according to the “ compounds-out ” cross-validation protocol for the prediction of binary mixture densities

    Techniques Used: Biomarker Discovery

    Related Articles

    Biomarker Discovery:

    Article Title: Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)
    Article Snippet: also calculates the second type of descriptors, that is, the weighted absolute difference of the descriptors. .. Using these descriptors, the results for the test set prediction calculated by LibSVM with ChemAxon descriptors were R2 = 0.94 ± 0.02, RMSE = 0.006 ± 0.001 – the highest prediction accuracy achieved for this test. .. However, the results of the same method, as well as of other methods for the “mixture-out” and “compound-out” valid

    Article Title: Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)
    Article Snippet: also calculates the second type of descriptors, that is, the weighted absolute difference of the descriptors. .. Using these descriptors, the results for the test set prediction calculated by LibSVM with ChemAxon descriptors were R 2 = 0.94 ± 0.02, RMSE = 0.006 ± 0.001 – the highest prediction accuracy achieved for this test. .. However, the results of the same method, as well as of other methods for the “mixture-out” and “compound-out” valid



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