| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/simsearch/ctb_simsearch/0.2 |
| toolshed.g2.bx.psu.edu/repos/bgruening/simsearch/ctb_simsearch/0.1.1 (this tool) |
| ctb_simsearch |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| chemfp | 1.1p1 | package |
| openbabel | 2.3.2 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
targets: targets.fps query: q.fps k: 4 th: 0.7 |
outfile: simsearch_on_tragets_and_q.tabular |
simsearch_on_tragets_and_q.tabular |