SOM Prediction statistics

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Associated diseases

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SOM Prediction specifications


Unique identifier OMICS_13835
Name SOM Prediction
Alternative name Sites Of Metabolism Prediction
Interface Web user interface
Restrictions to use None
Input data A Ligant file and a CYP
Computer skills Basic
Stability Stable
Maintained Yes

Publication for Sites Of Metabolism Prediction

SOM Prediction in publications

PMCID: 5224990
PMID: 28072829
DOI: 10.1371/journal.pone.0169910

[…] performance of the method is characterized by tp (true positive), fp (false positive), fn (false negative), tn (true negative), and specificity (sp) computed., in this report, we have developed a som prediction method for some fmo enzymes using svm with some quantum mechanics and circular fingerprints attributes. the total number of molecular descriptors used in building the som prediction […]

PMCID: 5085718
PMID: 27735849
DOI: 10.3390/ijms17101686

[…] into consideration. for this method, experimental data is not a prerequisite to create the model, so there are no so-called “false negatives”. nevertheless, there are indeed some huge challenges for som prediction by this method. structure-based methods rely on the availability of 3d structures of metabolic enzymes to certain extent []. however, the 3d structures of many enzymes remain unknown. […]

PMCID: 5312304
PMID: 27463020
DOI: 10.18632/oncotarget.10830

[…] into a category if the prediction score for the specific category was sufficiently high. in this study, we used a cutoff value of 0.80 to establish a diagnosis of rcc, which meant that if the som prediction score of a subject was below 0.80, the diagnosis was uncertain. cut-off values are typically user-defined. we achieved a prediction accuracy of 93.48% for healthy subjects and 76.32% […]

PMCID: 4896257
PMID: 29270804
DOI: 10.1186/s13321-016-0119-5

[…] quantum-chemically derived molecular descriptors encoding the reactivity of individual atoms appear to be an intuitive starting-point for model improvements. here, we address the challenge of som prediction with descriptors based on atomic partial charges. to this end we assessed various partial charge schemes with respect to their dependence on quantum mechanical methods as well […]

PMCID: 4790961
PMID: 26974821
DOI: 10.1371/journal.pone.0151536

[…] of variation (cv) values for clay (18.95%), free iron oxides (15.93%), and ph (1.04%). this demonstrates the importance of a practical subsetting strategy for the continued improvement of som prediction with vis–nir spectroscopy., all relevant data are within the paper and its supporting information file., soil organic matter (som) is a key attribute of soil and environmental quality […]

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SOM Prediction institution(s)
Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, India; Supercomputing Facility for Bioinformatics & Computational Biology, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, India; Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, India
SOM Prediction funding source(s)
This work is supported by grants from the Department of Biotechnology, Govt of India.

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