Man pages for momeara/SEAR
R Tools for working with the Similarity Ensemble Approach Program
| check_duplicates.smi | check that the smiles and compound columns are unique |
| clean_duplicates.smi | Remove duplicate entries in a smiles dataset |
| cleanup.config_files | Cleanup SEA config files |
| collect_compute_sea_network | Collect target vs. target scores computed with... |
| combine.smi | Combine compounds together, removing duplicates warn if there... |
| create.fp | create a fingerprint file given file or data frame with... |
| generate_images | Generate svg images for each compound |
| hit.report | Generate a hit report using the BioChemPantry scores is a... |
| no_duplicates | Returns TRUE if no values are duplicated |
| pack.library | Pack a SEA library |
| parse_fit_file | Parse SEA Fit file |
| plot_fits.library | Fit a library and generate plots |
| read.fp | Read a fingerprints file |
| read.fp.compound | Read a fingerprint compounds file |
| read.scores | Read a scores file |
| read.set | Read a set file returns data.frame with columns [target,... |
| read.smi | Read a smiles file returns data.frame with columns [smiles,... |
| run.sea | run SEA |
| sea_viewer_locator | Locate the SEA viewer build redirect urls into the sea viewer... |
| set_fit.library | Set the library fit |
| submit_compute_sea_network | Compute target vs. target scores for all targets in the... |
| tc_matrix | Compute a sparse TC matrix between query and reference... |
| uniprot_entry_web_lookup | See http://www.uniprot.org/help/uniprotkb_column_names for... |
| unpack.library | Unpack a SEA library returns: list(molecules, targets, fit)... |
| write.config_files | Write SEA config files Config files should be a list... |
| write.fp | Write a fingerprints file |
| write.scores | Write a scores file |
| write.set | Write a set file INPUT: set: data.frame with columns [target,... |
| write.singleton.set | Write a singleton sets file |
| write.smi | Write a smiles file input data.frame with columns [smiles,... |
