{"id":22175054,"url":"https://github.com/andschar/chemlook","last_synced_at":"2026-04-27T12:02:49.777Z","repository":{"id":46332129,"uuid":"299874334","full_name":"andschar/chemlook","owner":"andschar","description":"An R Package and Database containing Information on Chemicals","archived":false,"fork":false,"pushed_at":"2024-05-03T13:58:09.000Z","size":247,"stargazers_count":0,"open_issues_count":2,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-03-24T18:18:55.215Z","etag":null,"topics":["biology","chemistry","chemoinformatics","database","r"],"latest_commit_sha":null,"homepage":"","language":"R","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/andschar.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2020-09-30T09:43:31.000Z","updated_at":"2024-05-03T13:58:13.000Z","dependencies_parsed_at":"2025-01-29T22:44:55.024Z","dependency_job_id":"e50869f2-e290-4208-b074-19f121e564eb","html_url":"https://github.com/andschar/chemlook","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/andschar/chemlook","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/andschar%2Fchemlook","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/andschar%2Fchemlook/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/andschar%2Fchemlook/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/andschar%2Fchemlook/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/andschar","download_url":"https://codeload.github.com/andschar/chemlook/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/andschar%2Fchemlook/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":32335297,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-04-26T23:26:28.701Z","status":"online","status_checked_at":"2026-04-27T02:00:06.769Z","response_time":128,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["biology","chemistry","chemoinformatics","database","r"],"created_at":"2024-12-02T07:55:55.904Z","updated_at":"2026-04-27T12:02:49.744Z","avatar_url":"https://github.com/andschar.png","language":"R","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Chemical Lookup\n\nChemical Lookup (`{chemlook}`) is a database and repository containing tabular information on\nchemicals, such as names, identifiers (e.g. CAS, InChI) as well as identifiers\nto other databases (e.g. Pubchem CID).\n\n## Usage\n\nYou can use the R-package `{chemlook}` to query the database directly from\nR __OR__ you can download the data from its [Zenodo-Repository](https://zenodo.org/record/5947275).\n\n### From R\n\n#### Installation\n\n```r\nremotes::install_github('andschar/chemlook')\n```\n\n#### Example\n\nYou can query the database by different identifiers. For a detailed list see\n`?chemlook::cl_query()`. Some examples are shown below.\n\n```r\nrequire(chemlook)\n\ncl_query('1071-83-6', from = 'cas')\ncl_query('WSFSSNUMVMOOMR-UHFFFAOYSA-N', from = 'inchikey')\ncl_query('DTXSID8020961', from = 'dtxsid')\n```\n\n### Raw Data only\n\nAll the data tables are stored on the [Zenodo-Respository](https://zenodo.org/record/5947275)\nas a SQLite file.\n\n| table         | description |\n|:--------------|:------------|\n| cl_class      | Containing chemical classification information |\n| cl_id         | Table of identifiers |\n\nThe tables can be merged via the unique key column `cl_id`.\n\n## Contribute\n\nThe information here is by no means complete and users are highly encouraged to\ncontribute information to this database. Missing entries, wrong\nentries, more detailed information, you name it. Please signal issues via the [Issue](https://github.com/andschar/chemlook/issues) tracker.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fandschar%2Fchemlook","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fandschar%2Fchemlook","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fandschar%2Fchemlook/lists"}