RxnSim
Functions to Compute Chemical and Chemical Reaction Similarity
v1.0.4
·
Jul 19, 2023
·
GPL-3
Description
Methods to compute chemical similarity between two or more reactions and molecules. Allows masking of chemical substructures for weighted similarity computations. Uses packages 'rCDK' and 'fingerprint' for cheminformatics functionality. Methods for reaction similarity and sub-structure masking are as described in: Giri et al. (2015) <doi:10.1093/bioinformatics/btv416>.
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| Flavor | Status |
|---|---|
| r-devel-linux-x86_64-debian-clang | ERROR |
| r-devel-linux-x86_64-debian-gcc | OK |
| r-devel-linux-x86_64-fedora-clang | OK |
| r-devel-linux-x86_64-fedora-gcc | OK |
| r-devel-macos-arm64 | OK |
| r-devel-windows-x86_64 | OK |
| r-oldrel-macos-arm64 | OK |
| r-oldrel-macos-x86_64 | OK |
| r-oldrel-windows-x86_64 | OK |
| r-patched-linux-x86_64 | OK |
| r-release-linux-x86_64 | OK |
| r-release-macos-arm64 | OK |
| r-release-macos-x86_64 | OK |
| r-release-windows-x86_64 | OK |
Check details (14 non-OK)
ERROR
r-devel-linux-x86_64-debian-clang
package dependencies
Packages required but not available: 'rJava', 'rcdk' See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’ manual.
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r-oldrel-macos-arm64
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r-oldrel-macos-x86_64
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r-oldrel-windows-x86_64
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r-patched-linux-x86_64
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r-release-linux-x86_64
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ERROR 13 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE Mar 9, 2026
ERROR
r-devel-linux-x86_64-debian-clang
package dependencies
Packages required but not available: 'rJava', 'rcdk' See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’ manual.
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1.0.4
Mar 9, 2026