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Genetic Algorithms Select Protein Features Most Predictive of Enzyme Function. Andrew Kernytsky, Burkhard Rost Columbia University. Enzyme function prediction. Given protein sequence predict Enzyme Commission (EC) number. Ligases. Isomerases. Oxidoreductases. Lyases. Transferases.

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Genetic algorithms select protein features most predictive of enzyme function

Genetic Algorithms Select Protein Features Most Predictive of Enzyme Function

Andrew Kernytsky, Burkhard Rost

Columbia University


Enzyme function prediction
Enzyme function prediction of Enzyme Function

Given protein sequence predict Enzyme Commission (EC) number

Ligases

Isomerases

Oxidoreductases

Lyases

Transferases

Hydrolases

NC-IUBMB (1992) Recommendations of the International Union of Biochemistry on the Nomenclature and Classification of Enzymes. In, Enzyme Nomenclature. Academic Press, New York.

EC Wheel Figure: Porter CT, Bartlett GJ, Thornton JM. Nucleic Acids Res. 2004 January 1; 32: D129–D133.


Intersection properties capture local information

Limited local information of Enzyme Function

All Global

1%

All Intersection

0.1%

TAGHCVNYDYGAGCQSGSPV

bbbbbieeeiibbieeeeee

..|....|......||....

HHHEEEEELLEEEEELLLLL

iiibbbbbbboooobbbbbb

36788842100000000123

AA

Acc

Cons

Feat 4

Feat 5

Feat 6

0.01%

Significant risk of overfitting during training

103+ features > 102 positive samples

Intersection properties capture local information

20%

10%

5%


Algorithm overview

All intersection and global feature classes of Enzyme Function

All possible combinations

of feature classes[genomes]

Protein

sequence

2nd Generation

Genome Pop.

Inner Learning Algorithm

3rd Generation

Genome Pop.

Fitness Assesed

M

S

N

L

L

K

D

F

E

V

A

Q

C

AA×sec

AA AA×sec

sec AA×sec

AA

AA×sec

sec AA×sec

0.635

0.688

0.677

AA

sec

AA×sec

AA sec

AA AA×sec

sec AA×sec

AA sec AA×sec

AA

sec

AA×sec

GA Evolution

Neural

Network

Selection

Crossover

Mutation

OR

SVM

1st 2nd 3rd 4th

Generation Populations

Algorithm overview

Genetic Algorithm


Ga improves performance
GA improves performance of Enzyme Function

EC Level



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