Title |
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
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Published in |
Journal of Cheminformatics, September 2013
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DOI | 10.1186/1758-2946-5-41 |
Pubmed ID | |
Authors |
Gerard JP van Westen, Remco F Swier, Jörg K Wegner, Adriaan P IJzerman, Herman WT van Vlijmen, Andreas Bender |
Abstract |
While a large body of work exists on comparing and benchmarking of descriptors of molecular structures, a similar comparison of protein descriptor sets is lacking. Hence, in the current work a total of 13 different protein descriptor sets have been compared with respect to their behavior in perceiving similarities between amino acids. The descriptor sets included in the study are Z-scales (3 variants), VHSE, T-scales, ST-scales, MS-WHIM, FASGAI and BLOSUM, and a novel protein descriptor set termed ProtFP (4 variants). We investigate to which extent descriptor sets show collinear as well as orthogonal behavior via principal component analysis (PCA). |
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Mendeley readers
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Iran, Islamic Republic of | 1 | <1% |
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Readers by professional status | Count | As % |
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Student > Ph. D. Student | 31 | 22% |
Student > Bachelor | 19 | 13% |
Student > Master | 13 | 9% |
Other | 6 | 4% |
Other | 15 | 11% |
Unknown | 25 | 18% |
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Pharmacology, Toxicology and Pharmaceutical Science | 10 | 7% |
Other | 19 | 13% |
Unknown | 30 | 21% |