{"id":"https://openalex.org/W4367305072","doi":"https://doi.org/10.1021/scimeetings.3c00173","title":"Efficient exploration of large chemical space by a modified Dijkstra\u2019s algorithm","display_name":"Efficient exploration of large chemical space by a modified Dijkstra\u2019s algorithm","publication_year":2023,"publication_date":"2023-04-28","ids":{"openalex":"https://openalex.org/W4367305072","doi":"https://doi.org/10.1021/scimeetings.3c00173"},"language":"en","primary_location":{"id":"doi:10.1021/scimeetings.3c00173","doi":"https://doi.org/10.1021/scimeetings.3c00173","is_oa":false,"landing_page_url":"http://dx.doi.org/10.1021/scimeetings.3c00173","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"other","indexed_in":["crossref"],"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/A5082353530","display_name":"Ogunfowora Lawal","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ogunfowora Lawal","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021686009","display_name":"Micheal Forrester Espenship","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Micheal Forrester Espenship","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070236246","display_name":"Qiyuan Zhao","orcid":"https://orcid.org/0000-0003-3228-8160","observed_orcids":["https://orcid.org/0000-0003-3228-8160"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Qiyuan Zhao","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067234032","display_name":"Julia Laskin","orcid":"https://orcid.org/0000-0002-4533-9644","observed_orcids":["https://orcid.org/0000-0002-4533-9644"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Julia Laskin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027546604","display_name":"Jianguo Mei","orcid":"https://orcid.org/0000-0002-5743-2715","observed_orcids":["https://orcid.org/0000-0002-5743-2715"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jianguo Mei","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5013076223","display_name":"Brett Matthew Savoie","orcid":"https://orcid.org/0000-0002-7039-4039","observed_orcids":["https://orcid.org/0000-0002-7039-4039"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Brett Matthew Savoie","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.0010000000474974513,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chemical-space-exploration","display_name":"chemical space exploration","score":0.875},{"id":"https://openalex.org/keywords/dijkstra-s-algorithm","display_name":"Dijkstra's algorithm","score":0.8539999723434448},{"id":"https://openalex.org/keywords/modified-dijkstra-s-algorithm","display_name":"modified Dijkstra's algorithm","score":0.7409999966621399},{"id":"https://openalex.org/keywords/graph-search","display_name":"graph search","score":0.3149999976158142}],"concepts":[{"id":"https://openalex.org/C173870130","wikidata":"https://www.wikidata.org/wiki/Q8548","display_name":"Dijkstra's algorithm","level":4,"score":0.8128254413604736},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.6033716797828674},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5108529925346375},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4325059950351715},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.28493088483810425},{"id":"https://openalex.org/C22590252","wikidata":"https://www.wikidata.org/wiki/Q1058754","display_name":"Shortest path problem","level":3,"score":0.1503918468952179},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.124778151512146},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.07081112265586853}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/scimeetings.3c00173","doi":"https://doi.org/10.1021/scimeetings.3c00173","is_oa":false,"landing_page_url":"http://dx.doi.org/10.1021/scimeetings.3c00173","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W581792238","https://openalex.org/W3129816544","https://openalex.org/W3028469306","https://openalex.org/W3027292689","https://openalex.org/W6959704839","https://openalex.org/W1515150756","https://openalex.org/W7106257190","https://openalex.org/W2531681944","https://openalex.org/W7096199162","https://openalex.org/W6941284376"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2023-04-29T00:00:00"}