{"id":15118838,"url":"https://github.com/rdkit/CheTo","last_synced_at":"2025-09-28T01:31:05.069Z","repository":{"id":52955080,"uuid":"90148270","full_name":"rdkit/CheTo","owner":"rdkit","description":"CheTo - Chemical Topic Modeling","archived":false,"fork":false,"pushed_at":"2021-04-12T13:33:39.000Z","size":2357,"stargazers_count":32,"open_issues_count":2,"forks_count":13,"subscribers_count":7,"default_branch":"master","last_synced_at":"2025-01-06T04:22:41.930Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/rdkit.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}},"created_at":"2017-05-03T12:47:55.000Z","updated_at":"2024-04-06T02:01:30.000Z","dependencies_parsed_at":"2022-08-26T14:30:53.376Z","dependency_job_id":null,"html_url":"https://github.com/rdkit/CheTo","commit_stats":null,"previous_names":[],"tags_count":2,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2FCheTo","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2FCheTo/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2FCheTo/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rdkit%2FCheTo/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/rdkit","download_url":"https://codeload.github.com/rdkit/CheTo/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":234475315,"owners_count":18839358,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","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":[],"created_at":"2024-09-26T01:53:39.026Z","updated_at":"2025-09-28T01:30:57.960Z","avatar_url":"https://github.com/rdkit.png","language":"Jupyter Notebook","funding_links":[],"categories":["Ranked by starred repositories"],"sub_categories":[],"readme":"CheTo - RC(=O)R\n--------\n\n\nCheTo (ChemicalTopic) allows to apply topic modeling, a method developed in the text-mining field,  to chemical data. Please see our recent publication for detailed information: \n\nSchneider, N.; Fechner, N.; Landrum, G. A.; Stiefl, N. *Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach*. J. Chem. Inf. Model. 2017, [http://pubs.acs.org/doi/10.1021/acs.jcim.7b00249](http://pubs.acs.org/doi/10.1021/acs.jcim.7b00249)\n\nThe [supplementary](http://pubs.acs.org/doi/suppl/10.1021/acs.jcim.7b00249) of the paper contains exemplary data sets extracted from the [ChEMBL database](https://www.ebi.ac.uk/chembl/) and Jupyter notebooks to run the experiments described in the paper.\n\nAn interactive web page showing an exemplary topic model of data set A from our paper can be found here [http://www.t5informatics.com/Papers/InteractiveTopicModelDatasetA.html](http://www.t5informatics.com/Papers/InteractiveTopicModelDatasetA.html)\n\n**Installation**\n\nTo install CheTo using Conda, simply run:\n\n  `conda install -c rdkit cheto`\n  \n**Further reading**\n\nUsing CheTo in KNIME: [http://rdkit.blogspot.ch/2017/08/chemical-topic-modeling-with-rdkit-and.html](http://rdkit.blogspot.ch/2017/08/chemical-topic-modeling-with-rdkit-and.html)\n\nAfter publication of our article we were made aware that applying topic modeling to chemical data was also suggested by Rajarshi Guha in 2012 in his blog ([http://blog.rguha.net/?p=997](http://blog.rguha.net/?p=997)).\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frdkit%2FCheTo","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frdkit%2FCheTo","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frdkit%2FCheTo/lists"}