Research article
Large scale study of multiple-molecule queries
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* Corresponding author: Pierre F Baldi pfbaldi@uci.edu
- † Equal contributors
The Bren School of Information and Computer Science, Institute for Genomics and Bioinformatics, University of California, Irvine, CA 92697-3435, USA
Journal of Cheminformatics 2009, 1:7 doi:10.1186/1758-2946-1-7
Published: 4 June 2009Additional files
Additional file 1:
xvalranks. The CSV file contains all the ranks of cross-validated active compounds per data set per similarity method. The first entry on each line is the data set, the second entry is the similarity method, and the rest of the entries are the ranks of the actives when cross validated over the entire data set.
Format: CSV Size: 252KB Download file
Additional file 2:
performance. The CSV file contains all the results of the cross-validated experiments per data set per similarity method. On each line, the first entry is the data set, the second entry is the similarity method, the third, fourth, fifth, and sixth entries are the different performance metrics respectively: AUC, AUAC, F1, and BEDROC
Format: CSV Size: 42KB Download file
Additional file 3:
performance. The PDF file contains all the results of the cross-validated experiments per data set per similarity method in different tables. The highest performance of each data set is shown in bold. The columns, left to right, are: data set, similarity method, AUC, AUAC, F1, and BEDROC.
Format: PDF Size: 49KB Download file
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