{"id":"https://openalex.org/W37004101","doi":"https://doi.org/10.1186/s13321-023-00703-1","title":"Myrtilus de Thessalie","display_name":"Myrtilus de Thessalie","publication_year":2005,"publication_date":"2005-01-01","ids":{"openalex":"https://openalex.org/W37004101","doi":"https://doi.org/10.1186/s13321-023-00703-1","mag":"37004101"},"language":"en","primary_location":{"id":"mag:37004101","is_oa":false,"landing_page_url":"http://digibug.ugr.es/bitstream/10481/27731/1/Myrtilus.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of cheminformatics","raw_type":null},"type":"article","indexed_in":[],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5017529005","display_name":"Fuentes Gonz\u00e1lez","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Fuentes Gonz\u00e1lez","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5108109908","display_name":"Pedro Pablo","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Pedro Pablo","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5017529005"],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.01010237,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"15","issue":"1","first_page":"40","last_page":"40"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10165","display_name":"Classical Antiquity Studies","score":0.9430999755859375,"subfield":{"id":"https://openalex.org/subfields/3314","display_name":"Anthropology"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T10165","display_name":"Classical Antiquity Studies","score":0.9430999755859375,"subfield":{"id":"https://openalex.org/subfields/3314","display_name":"Anthropology"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/business","display_name":"Business","score":0.3285481631755829}],"concepts":[{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.3285481631755829}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:37004101","is_oa":false,"landing_page_url":"http://digibug.ugr.es/bitstream/10481/27731/1/Myrtilus.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of cheminformatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Ligand-based":[0],"virtual":[1,42],"screening":[2,16,75],"is":[3,66,82],"a":[4,14,37,58,70],"widespread":[5],"method":[6],"in":[7,21],"modern":[8],"drug":[9],"design.":[10],"It":[11],"allows":[12],"for":[13],"rapid":[15],"of":[17,45,61,73],"large":[18],"compound":[19],"databases":[20],"order":[22],"to":[23],"identify":[24],"similar":[25],"structures.":[26],"Here":[27],"we":[28],"report":[29],"an":[30],"open-source":[31],"command":[32],"line":[33],"tool":[34],"which":[35],"includes":[36],"substructure-,":[38],"fingerprint-":[39],"and":[40,65],"shape-based":[41],"screening.":[43],"Most":[44],"the":[46,52,74],"implemented":[47],"features":[48],"fully":[49],"rely":[50],"on":[51],"RDKit":[53],"cheminformatics":[54],"framework.":[55],"VSFlow":[56],"accepts":[57],"wide":[59],"range":[60],"input":[62],"file":[63,81],"formats":[64],"highly":[67],"customizable.":[68],"Additionally,":[69],"quick":[71],"visualization":[72],"results":[76],"as":[77],"pdf":[78],"and/or":[79],"pymol":[80],"supported.":[83]},"counts_by_year":[],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2016-06-24T00:00:00"}