{ "_id": "6adf1f264c7d964cce4d873f", "Package": "RxnSim", "Type": "Package", "Title": "Functions to Compute Chemical and Chemical Reaction Similarity", "Version": "1.0.4", "Date": "2023-07-15", "Authors@R": "person(\"Varun\", \"Giri\", role=c(\"aut\", \"cre\"), email=\"varungiri@gmail.com\")", "Maintainer": "Varun Giri ", "Description": "Methods to compute chemical similarity between two or more\nreactions and molecules. Allows masking of chemical\nsubstructures for weighted similarity computations. Uses\npackages 'rCDK' and 'fingerprint' for cheminformatics\nfunctionality. Methods for reaction similarity and\nsub-structure masking are as described in: Giri et al. (2015)\n.", "License": "GPL-3", "Author": "Varun Giri [aut, cre]", "NeedsCompilation": "no", "Packaged": { "Date": "2026-10-26 09:34:04 UTC", "User": "root" }, "Repository": "https://cran.r-universe.dev", "Date/Publication": "2023-07-20 01:47:20 UTC", "RemoteUrl": "https://github.com/cran/RxnSim", "RemoteRef": "HEAD", "RemoteSha": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "_user": "cran", "_type": "src", "_file": "RxnSim_1.0.4.tar.gz", "_fileid": "https://r2.ropensci.org/2cf4cd92ad967e77db49910a56879b5b60cb5186d4b512f0217fa76b8b88b1d3", "_filesize": 352361, "_sha256": "2cf4cd92ad967e77db49910a56879b5b60cb5186d4b512f0217fa76b8b88b1d3", "_expires": "2027-02-03T09:36:36.000Z", "_created": "2026-10-26T09:34:04.000Z", "_published": "2026-10-26T09:36:38.275Z", "_upstream": "https://github.com/cran/RxnSim", "_status": "success", "_maintainer": { "name": "Varun Giri", "email": "varungiri@gmail.com", "login": "varungiri", "description": "", "uuid": 29435972 }, "_jobs": [ { "job": 121497229653, "time": 102, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "12639948194" }, { "job": 121497229477, "time": 105, "config": "linux-release-x86_64", "r": "4.6.1", "check": "OK", "artifact": "12639504140" }, { "job": 121495798892, "time": 197, "config": "source", "r": "4.6.1", "check": "OK", "artifact": "12640351164" }, { "job": 121497229411, "time": 92, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "12640471691" }, { "job": 121497229623, "time": 80, "config": "windows-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "12639743546" }, { "job": 121497229390, "time": 68, "config": "windows-release-x86_64", "r": "4.6.1", "check": "OK", "artifact": "12639713604" } ], "_buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806", "_commit": { "id": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "author": "Varun Giri ", "committer": "cran-robot ", "message": "version 1.0.4\n", "time": 1689817640 }, "_distro": "resolute", "_host": "GitHub-Actions", "_registered": true, "_dependencies": [ { "package": "R", "version": ">= 4.3.0", "role": "Depends" }, { "package": "methods", "role": "Imports" }, { "package": "rJava", "role": "Imports" }, { "package": "fingerprint", "role": "Imports" }, { "package": "data.table", "role": "Imports" }, { "package": "rcdk", "version": ">= 3.8.1", "role": "Imports" } ], "_owner": "cran", "_selfowned": false, "_usedby": 0, "_updates": [], "_tags": [], "_stars": 4, "_contributors": [ { "user": "varungiri", "count": 5, "uuid": 29435972 } ], "_userbio": { "uuid": 6899542, "type": "organization", "name": "cran", "followers": 634, "description": "Unofficial read-only mirror of all CRAN R packages" }, "_downloads": { "count": 279, "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/RxnSim" }, "_searchresults": 14, "_topics": [ "openjdk" ], "_rbuild": "4.6.1", "_assets": [ "extra/citation.cff", "extra/citation.html", "extra/citation.json", "extra/citation.txt", "extra/contents.json", "extra/manual.pdf", "extra/NEWS.html", "extra/NEWS.txt", "extra/readme.html", "extra/readme.md", "extra/RxnSim.html" ], "_homeurl": "https://github.com/varungiri/rxnsim", "_realowner": "varungiri", "_cranurl": false, "_releases": [ { "version": "1.0", "date": "2015-03-12" }, { "version": "1.0.1", "date": "2015-04-08" }, { "version": "1.0.2", "date": "2017-06-20" }, { "version": "1.0.3", "date": "2017-07-25" }, { "version": "1.0.4", "date": "2023-07-20" } ], "_exports": [ "ms.compute", "ms.compute.PCA", "ms.compute.sim.matrix", "ms.mask", "rs.clearCache", "rs.compute", "rs.compute.DB", "rs.compute.list", "rs.compute.sim.matrix", "rs.makeDB", "rs.mask" ], "_help": [ { "page": "RxnSim-package", "title": "Functions to compute chemical reaction and molecular similarity", "topics": [ "RxnSim-package", "RxnSim", "rxnsim" ] }, { "page": "ms.compute", "title": "Computes Similarity of Molecules", "topics": [ "ms.compute", "ms.compute.PCA", "ms.compute.sim.matrix" ] }, { "page": "rs.clearCache", "title": "Clears Fingerprint Cache", "topics": [ "rs.clearCache" ] }, { "page": "rs.compute", "title": "Computes Similarity of Reactions", "topics": [ "rs.compute", "rs.compute.DB", "rs.compute.list", "rs.compute.sim.matrix" ] }, { "page": "rs.makeDB", "title": "Converts Text File to Reaction Database", "topics": [ "rs.makeDB" ] }, { "page": "rs.mask", "title": "Masks a Sub-structure in Input Molecule or Reaction", "topics": [ "ms.mask", "rs.mask" ] } ], "_readme": "https://github.com/cran/RxnSim/raw/HEAD/README.md", "_rundeps": [ "data.table", "fingerprint", "iterators", "itertools", "png", "rcdk", "rcdklibs", "rJava" ], "_sysdeps": [ { "shlib": "libjvm", "package": "openjdk-25-jre-headless", "headers": "openjdk-25-jre-headless", "source": "openjdk", "version": "25.0.4.1+1-1~26.04.4", "name": "openjdk", "homepage": "https://openjdk.java.net/", "description": "OpenJDK Java runtime, using Hotspot JIT (headless)" } ], "_score": 2.4471580313422194, "_indexed": false, "_nocasepkg": "rxnsim", "_universes": [ "cran" ], "_indexurl": "https://varungiri.r-universe.dev/RxnSim", "_binaries": [ { "r": "4.7.0", "os": "linux", "version": "1.0.4", "date": "2026-10-26T09:35:41.000Z", "distro": "resolute", "commit": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "fileid": "https://r2.ropensci.org/0f9686288e61f6d1b75b9ea924fc7f4604f2fea73c59a5625873df44d694fd9c", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806" }, { "r": "4.6.1", "os": "linux", "version": "1.0.4", "date": "2026-10-26T09:35:43.000Z", "distro": "resolute", "commit": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "fileid": "https://r2.ropensci.org/e6296eaebfa20096a198e7e1b761348f1f68b5a8f486d6cb9fec2fcef11b0c01", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806" }, { "r": "4.6.0", "os": "wasm", "version": "1.0.4", "date": "2026-10-26T09:35:54.000Z", "commit": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "fileid": "https://r2.ropensci.org/cfce2573241b2c193808baf2e3477d8ab1ba2f8d7e948bf21777d22e23c7c0b1", "status": "success", "buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806" }, { "r": "4.7.0", "os": "win", "version": "1.0.4", "date": "2026-10-26T09:35:09.000Z", "commit": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "fileid": "https://r2.ropensci.org/065e5a2f558a27a9934489d7d781359a958bf5b701793ad1412469b4fef13077", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806" }, { "r": "4.6.1", "os": "win", "version": "1.0.4", "date": "2026-10-26T09:35:01.000Z", "commit": "1179972a7b2558cd6c5fa25202c12e8c343f9722", "fileid": "https://r2.ropensci.org/fbe27fc6859c707d44e8482abb2b58198456bbf96f7e4e1be3fdb9f02b4578e6", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/40299927806" } ] }