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How to calculate the amino acid composition features, dipeptide composition features, and pseudo amino acid composition features based on the peptide amino acid sequence?

I. Amino Acid Composition (AAC)

1. Principle

Calculate the relative frequency of the 20 standard amino acids in a sequence.

 

2. Calculation Formula

 

1914586704820948992-1.png

Figure 1

 

II. Dipeptide Composition (DPC)

1. Principle

Calculate the frequency of all 400 possible dipeptides (AA, AC, ..., YY) to capture local sequence order information of amino acids.

 

2. Calculation Formula

 

1914586747732873216-2.png

Figure 2

 

III. Pseudo Amino Acid Composition (PseAAC)

1. Principle

Introduce physicochemical properties of amino acids (such as hydrophobicity, polarity, side chain mass, etc.) and sequence order-related information based on AAC, commonly used in machine learning modeling.

 

2. Basic Form (Type I)

 

1914586789554278400-3.png

Figure 3

 

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