iUmami-SCM
iUmami-SCM predicts umami-active peptides from primary sequence information by applying a scoring card method to identify sequence determinants of umami taste.
Key Features:
- Sequence-Based Prediction: Uses primary sequence information with a scoring card method (SCM) that incorporates propensity scores of amino acids and dipeptides to identify potential umami peptides.
- Predictive Performance: Reports an accuracy of 0.865 and a Matthews correlation coefficient of 0.679 on independent datasets and exhibits superior performance compared to other machine learning classifiers.
- Biophysical and Biochemical Insight: Provides SCM-derived propensity scores that give insights into biophysical and biochemical properties associated with umami taste intensity.
- Benchmark Datasets: Evaluated using datasets UMP-TR (112 umami and 241 non-umami peptides) and UMP-IND (28 umami and 61 non-umami peptides).
Scientific Applications:
- Umami peptide identification: Identifies candidate umami-active peptides from sequence data for downstream validation.
- Flavor enhancement and product development: Supports selection of peptide candidates for flavor enhancement and food product formulation.
- Computational screening alternative: Serves as a computational alternative to experimental assays for high-throughput screening, reducing time and cost in umami peptide discovery.
Methodology:
Applies a scoring card method (SCM) that computes propensity scores for amino acids and dipeptides to evaluate sequences; the approach was evaluated on UMP-TR (112 umami, 241 non-umami) and UMP-IND (28 umami, 61 non-umami) and compared to other machine learning classifiers, reporting accuracy 0.865 and MCC 0.679 on independent data.
Topics
Details
- Tool Type:
- api
- Added:
- 1/18/2021
- Last Updated:
- 2/11/2021
Operations
Publications
Charoenkwan P, Yana J, Nantasenamat C, Hasan MM, Shoombuatong W. iUmami-SCM: A Novel Sequence-Based Predictor for Prediction and Analysis of Umami Peptides Using a Scoring Card Method with Propensity Scores of Dipeptides. Journal of Chemical Information and Modeling. 2020;60(12):6666-6678. doi:10.1021/acs.jcim.0c00707. PMID:33094610.