{"id":20690358,"url":"https://github.com/merck/bart-qsar","last_synced_at":"2025-07-27T19:10:31.182Z","repository":{"id":90243134,"uuid":"178921549","full_name":"Merck/BART-QSAR","owner":"Merck","description":null,"archived":false,"fork":false,"pushed_at":"2019-04-13T13:13:16.000Z","size":21940,"stargazers_count":1,"open_issues_count":0,"forks_count":1,"subscribers_count":4,"default_branch":"master","last_synced_at":"2025-07-07T08:09:18.150Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"R","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Merck.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"COPYING","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":"2019-04-01T18:20:04.000Z","updated_at":"2023-03-23T08:35:26.000Z","dependencies_parsed_at":"2023-03-17T22:31:02.491Z","dependency_job_id":null,"html_url":"https://github.com/Merck/BART-QSAR","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/Merck/BART-QSAR","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Merck%2FBART-QSAR","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Merck%2FBART-QSAR/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Merck%2FBART-QSAR/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Merck%2FBART-QSAR/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Merck","download_url":"https://codeload.github.com/Merck/BART-QSAR/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Merck%2FBART-QSAR/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":267408898,"owners_count":24082526,"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","status":"online","status_checked_at":"2025-07-27T02:00:11.917Z","response_time":82,"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":[],"created_at":"2024-11-16T23:12:49.382Z","updated_at":"2025-07-27T19:10:31.137Z","avatar_url":"https://github.com/Merck.png","language":"R","readme":"# BART-QSAR Documentation     \r\n\r\nAuthors: Dai Feng, Andy Liaw. \r\n\r\nContact: dai_feng@merck.com, andy_liaw@merck.com.\r\n\r\nAffiliation: Merck Biometrics Research, Merck Sharp \u0026 Dohme Corp. a subsidiary of Merck \u0026 Co., Inc., Kenilworth, NJ, USA.\r\n\r\nDate: 03/25/2019\r\n\r\nAcknowledgement: \r\n\t\r\nIf you use the BART-QSAR for scientific work that gets published, you should include in that publication a citation \r\nof the following paper:\r\n\r\nDai Feng, Vladimir Svetnik, Andy Liaw, Matthew Pratola, and Robert P. Sheridan. \"Building Quantitative Structure-Activity\r\nRelationship Models Using Bayesian Additive Regression Trees\". Journal of Chemical Information and Modeling, 2019.\r\n\r\n\r\n## Basic info\r\n### System requirements:\r\nR (\u003e= 3.5.1)\r\n\r\n\r\n### Installation of R Packages:\r\n\r\n[randomForest:] https://cran.r-project.org/web/packages/randomForest/\r\n\r\n[quantregForest:] https://cran.r-project.org/web/packages/quantregForest/\r\n\r\n[randomForestCI:] https://github.com/swager/randomForestCI\r\n\r\n[dbarts:] https://cran.r-project.org/web/packages/dbarts/\r\n\r\n[OpenBT:] https://bitbucket.org/mpratola/openbt\r\n\r\n[coda:] https://cran.r-project.org/web/packages/coda/\r\n\r\n\r\n## Brief explaination of all R files\r\n\r\n[getPIrf.R:] Get prediction intervals using three methods based on Random Forest: IJRF, IJQRF, and QRF.\r\n\t\r\n[rf.R:] An example showing how to obtain different prediction intervals using different methods based on Random Forest.\r\n\r\n[getPIbart.R] Get prediction intervals using three methods based on BART: BART, OpenBT-bart, and OpenBT-hbart.\r\n\r\n[bart.R] An example showing how to obtain differetn prediction intervals using different methods based on BART.\r\n\t\r\n\r\n## Brief explaination of all data files\r\n[x.train.rda] Features of training data\r\n\r\n[y.train.rda] Response of training data\r\n    \r\n[x.test.rda] Features of test data\r\n\r\n[y.test.rda] Response of test data","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmerck%2Fbart-qsar","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmerck%2Fbart-qsar","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmerck%2Fbart-qsar/lists"}