{"id":17255195,"url":"https://github.com/unixjunkie/lbvs_no_decoys","last_synced_at":"2026-03-19T00:20:27.606Z","repository":{"id":144782442,"uuid":"98302350","full_name":"UnixJunkie/lbvs_no_decoys","owner":"UnixJunkie","description":"Two datasets for Ligand-Based Virtual Screening benchmarking without decoys","archived":false,"fork":false,"pushed_at":"2017-07-25T12:13:10.000Z","size":1,"stargazers_count":2,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-01-31T09:31:29.009Z","etag":null,"topics":["chemoinformatics","dataset","lbvs"],"latest_commit_sha":null,"homepage":"","language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/UnixJunkie.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"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":"2017-07-25T12:12:37.000Z","updated_at":"2022-07-15T18:01:22.000Z","dependencies_parsed_at":null,"dependency_job_id":"8db98346-5174-4f45-88a5-f1642a9530c4","html_url":"https://github.com/UnixJunkie/lbvs_no_decoys","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/UnixJunkie%2Flbvs_no_decoys","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/UnixJunkie%2Flbvs_no_decoys/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/UnixJunkie%2Flbvs_no_decoys/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/UnixJunkie%2Flbvs_no_decoys/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/UnixJunkie","download_url":"https://codeload.github.com/UnixJunkie/lbvs_no_decoys/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":245615009,"owners_count":20644376,"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":["chemoinformatics","dataset","lbvs"],"created_at":"2024-10-15T07:10:55.641Z","updated_at":"2026-01-07T04:07:39.644Z","avatar_url":"https://github.com/UnixJunkie.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"# LBVS no decoys\nTwo datasets for Ligand-Based Virtual Screening (LBVS) benchmarking\nwithout decoys.\n\nIn case of problems, this dataset is also hosted here:\nhttps://data.mendeley.com/datasets/52hjy6vjwb/1\n\nIf you use them, please cite the original datasets:\n\n    @article{butkiewicz2013,\n      title={Benchmarking ligand-based virtual High-Throughput Screening\n             with the PubChem database},\n      author={Butkiewicz, Mariusz and Lowe, Edward W and Mueller, Ralf and\n              Mendenhall, Jeffrey L and Teixeira, Pedro L and\n              Weaver, C David and Meiler, Jens},\n      journal={Molecules},\n      volume={18},\n      number={1},\n      pages={735--756},\n      year={2013},\n      publisher={Multidisciplinary Digital Publishing Institute},\n      doi={10.3390/molecules18010735}\n    }\n\n    @article{Lagarde2014,\n    author = {Lagarde, Nathalie and Ben Nasr, Nesrine and Jérémie, Aurore and\n              Guillemain, Hélène and Laville, Vincent and Labib, Taoufik and\n              Zagury, Jean-François and Montes, Matthieu},\n    title = {NRLiSt BDB, the Manually Curated Nuclear Receptors Ligands and\n             Structures Benchmarking Database},\n    journal = {Journal of Medicinal Chemistry},\n    volume = {57},\n    number = {7},\n    pages = {3117-3125},\n    year = {2014},\n    doi = {10.1021/jm500132p},\n    note ={PMID: 24666037},\n    URL = {http://dx.doi.org/10.1021/jm500132p},\n    eprint = {http://dx.doi.org/10.1021/jm500132p}\n    }\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Funixjunkie%2Flbvs_no_decoys","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Funixjunkie%2Flbvs_no_decoys","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Funixjunkie%2Flbvs_no_decoys/lists"}