Functions to Compute Chemical and Chemical Reaction Similarity
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Documentation for package ‘RxnSim’ version 1.0.4
- DESCRIPTION file.
- Code demos. Use demo() to run them.
- Package NEWS.
Help Pages
| RxnSim-package | Functions to compute chemical reaction and molecular similarity |
| ms.compute | Computes Similarity of Molecules |
| ms.compute.PCA | Computes Similarity of Molecules |
| ms.compute.sim.matrix | Computes Similarity of Molecules |
| ms.mask | Masks a Sub-structure in Input Molecule or Reaction |
| rs.clearCache | Clears Fingerprint Cache |
| rs.compute | Computes Similarity of Reactions |
| rs.compute.DB | Computes Similarity of Reactions |
| rs.compute.list | Computes Similarity of Reactions |
| rs.compute.sim.matrix | Computes Similarity of Reactions |
| rs.makeDB | Converts Text File to Reaction Database |
| rs.mask | Masks a Sub-structure in Input Molecule or Reaction |
| RxnSim | Functions to compute chemical reaction and molecular similarity |
| rxnsim | Functions to compute chemical reaction and molecular similarity |