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PepQSAR are divided into three parts as amino acid descriptors, bioactive peptides and QSAR models. Each part offers a choice to search and download relative data.
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For peptide datasets in our database, the 3D graph shows the number of active peptides contained in each peptide dataset and amino acid descriptors used to characterize the peptide structures.
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A summary of QSAR models. The pie chart was made according to peptide datasets used in QSAR model, and the legend shows name of each peptide dataset. It can be seen that ACE inhibitory Dipeptides has been used with the highest frequency.
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In the two horizontal coordinates, the top represents amino acid descriptors, the bottom is peptide datasets, and the three bars represent statistics of several QSAR models in our database, including R2, Q2, RMSE.
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Welcome to PepQSAR DB v1.0 !
- This is the first database dedicated to quantitative structure-activity relationships of peptides, providing a large number of relevant data. You can find amino acid descriptors, active peptide datasets, modeling results of various models, and more.
- Our database is divided into two parts: amino acid descriptors and bioactive peptides.
- Different amino acid descriptors are often used to model various bioactive peptide data sets in quantitative structure-activity relationship studies.In order to facilitate the access and use of these different amino acid descriptors and bioactive peptide data, we have created this database.