{"id":"https://openalex.org/W2067093847","doi":"https://doi.org/10.1021/ci9800209","title":"Virtual Compound Libraries:\u2009 A New Approach to Decision Making in Molecular Discovery Research","display_name":"Virtual Compound Libraries:\u2009 A New Approach to Decision Making in Molecular Discovery Research","publication_year":1998,"publication_date":"1998-07-17","ids":{"openalex":"https://openalex.org/W2067093847","doi":"https://doi.org/10.1021/ci9800209","mag":"2067093847"},"language":"en","primary_location":{"id":"doi:10.1021/ci9800209","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9800209","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},"type":"article","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/A5007003686","display_name":"Richard D. Cramer","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Richard D. Cramer","raw_affiliation_strings":["Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090635221","display_name":"David E. Patterson","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"David E. Patterson","raw_affiliation_strings":["Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048661632","display_name":"Robert D. Clark","orcid":"https://orcid.org/0000-0001-9509-8132"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Robert D. Clark","raw_affiliation_strings":["Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085470555","display_name":"Farhad Soltanshahi","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Farhad Soltanshahi","raw_affiliation_strings":["Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052667065","display_name":"Michael S. Lawless","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Michael S. Lawless","raw_affiliation_strings":["Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tripos, Inc., 1699 S. Hanley Road, St. Louis, Missouri 63144","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":17.1923,"has_fulltext":false,"cited_by_count":90,"citation_normalized_percentile":{"value":0.99568434,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"38","issue":"6","first_page":"1010","last_page":"1023"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9966999888420105,"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":0.9966999888420105,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9865000247955322,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9799000024795532,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7404841780662537},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.4346562623977661},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3627074956893921}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7404841780662537},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.4346562623977661},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3627074956893921}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/ci9800209","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9800209","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/16","score":0.7300000190734863,"display_name":"Peace, Justice and strong institutions"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":13,"referenced_works":["https://openalex.org/W1981214699","https://openalex.org/W1997589104","https://openalex.org/W2005685204","https://openalex.org/W2013727775","https://openalex.org/W2021083597","https://openalex.org/W2022701930","https://openalex.org/W2066345214","https://openalex.org/W2078115945","https://openalex.org/W2095436877","https://openalex.org/W2798141208","https://openalex.org/W2952213121","https://openalex.org/W2952280638","https://openalex.org/W4253065514"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W2350741829","https://openalex.org/W2530322880","https://openalex.org/W1596801655"],"abstract_inverted_index":{"Virtual":[0],"compound":[1],"libraries,":[2],"descriptions":[3],"of":[4,6,56],"all":[5],"the":[7],"structures":[8],"that":[9],"might":[10],"be":[11,36],"produced":[12],"by":[13],"specified":[14,17],"transformations":[15],"involving":[16],"reagents,":[18],"are":[19,32],"especially":[20],"useful":[21,45],"in":[22],"molecular":[23],"discovery":[24],"when":[25],"suitably":[26],"fast":[27],"and":[28,48,52,59],"relevant":[29],"searching":[30,43,46],"techniques":[31],"available.":[33],"Issues":[34],"to":[35],"considered":[37],"include":[38],"fundamental":[39],"data":[40],"structures,":[41],"neighborhood":[42],"principles,":[44],"approaches":[47],"techniques,":[49],"library":[50,57],"definition":[51],"construction,":[53],"algorithmic":[54],"details":[55],"comparison,":[58],"user":[60],"interfaces.":[61]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}