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Prediction of Cell-Penetrating Peptides using Artificial Neural Networks

Dobchev, D. A. (author)
Mäger, I. (author)
Stockholms universitet,Institutionen för neurokemi,University of Tartu, Estonia
Tulp, I. (author)
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Karelson, G. (author)
Tamm, T. (author)
Tamm, K. (author)
Jänes, J. (author)
Langel, Ülo (author)
Stockholms universitet,Institutionen för neurokemi,University of Tartu, Estonia
Karelson, M. (author)
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 (creator_code:org_t)
Bentham Science Publishers Ltd. 2010
2010
English.
In: Current Computer-Aided Drug Design. - : Bentham Science Publishers Ltd.. - 1573-4099. ; 6:2, s. 79-89
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • An investigation of cell-penetrating peptides (CPPs) by using combination of Artificial Neural Networks (ANN) and Principle Component Analysis (PCA) revealed that the penetration capability (penetrating/non-penetrating) of 101 examined peptides can be predicted with accuracy of 80%-100%. The inputs of the ANN are the main characteristics classifying the penetration. These molecular characteristics (descriptors) were calculated for each peptide and they provide bio-chemical insights for the criteria of penetration. Deeper analysis of the PCA results also showed clear clusterization of the peptides according to their molecular features.

Subject headings

MEDICIN OCH HÄLSOVETENSKAP  -- Medicinska och farmaceutiska grundvetenskaper -- Farmaceutiska vetenskaper (hsv//swe)
MEDICAL AND HEALTH SCIENCES  -- Basic Medicine -- Pharmaceutical Sciences (hsv//eng)
NATURVETENSKAP  -- Data- och informationsvetenskap (hsv//swe)
NATURAL SCIENCES  -- Computer and Information Sciences (hsv//eng)

Keyword

Artificial neural networks (ANN)
Cell-penetrating peptides (CPP)
QSAR
PCA

Publication and Content Type

ref (subject category)
art (subject category)

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