{"id":"https://openalex.org/W2088221622","doi":"https://doi.org/10.1021/ci9904259","title":"Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design","display_name":"Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design","publication_year":1999,"publication_date":"1999-10-29","ids":{"openalex":"https://openalex.org/W2088221622","doi":"https://doi.org/10.1021/ci9904259","mag":"2088221622","pmid":"https://pubmed.ncbi.nlm.nih.gov/10614028"},"language":"en","primary_location":{"id":"doi:10.1021/ci9904259","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9904259","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","pubmed"],"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/A5036729806","display_name":"Andrew R. Leach","orcid":"https://orcid.org/0000-0001-8178-0253"},"institutions":[{"id":"https://openalex.org/I141584323","display_name":"University of Hertfordshire","ror":"https://ror.org/0267vjk41","country_code":"GB","type":"education","lineage":["https://openalex.org/I141584323"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Andrew R. Leach","raw_affiliation_strings":["Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K","institution_ids":["https://openalex.org/I141584323"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112088138","display_name":"John Bradshaw","orcid":null},"institutions":[{"id":"https://openalex.org/I141584323","display_name":"University of Hertfordshire","ror":"https://ror.org/0267vjk41","country_code":"GB","type":"education","lineage":["https://openalex.org/I141584323"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"John Bradshaw","raw_affiliation_strings":["Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K","institution_ids":["https://openalex.org/I141584323"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045116564","display_name":"Darren V. S. Green","orcid":"https://orcid.org/0000-0001-9063-2754"},"institutions":[{"id":"https://openalex.org/I141584323","display_name":"University of Hertfordshire","ror":"https://ror.org/0267vjk41","country_code":"GB","type":"education","lineage":["https://openalex.org/I141584323"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Darren V. S. Green","raw_affiliation_strings":["Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K","institution_ids":["https://openalex.org/I141584323"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074001064","display_name":"Michael M. Hann","orcid":"https://orcid.org/0000-0003-4360-9505"},"institutions":[{"id":"https://openalex.org/I141584323","display_name":"University of Hertfordshire","ror":"https://ror.org/0267vjk41","country_code":"GB","type":"education","lineage":["https://openalex.org/I141584323"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Michael M. Hann","raw_affiliation_strings":["Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medicines Research Centre, Glaxo Wellcome Research & Development, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K","institution_ids":["https://openalex.org/I141584323"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048056570","display_name":"John J. Delany","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John J. Delany","raw_affiliation_strings":["Daylight Chemical Information Systems Inc., Santa Fe Research Office, 419 East Palace Avenue, Santa Fe, New Mexico 87501"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Daylight Chemical Information Systems Inc., Santa Fe Research Office, 419 East Palace Avenue, Santa Fe, New Mexico 87501","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":11.7579,"has_fulltext":false,"cited_by_count":89,"citation_normalized_percentile":{"value":0.99101771,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"39","issue":"6","first_page":"1161","last_page":"1172"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9987999796867371,"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":0.9987999796867371,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9983000159263611,"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"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.9882000088691711,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/computer-science","display_name":"Computer science","score":0.7420856356620789},{"id":"https://openalex.org/keywords/enumeration","display_name":"Enumeration","score":0.7211689949035645},{"id":"https://openalex.org/keywords/profiling","display_name":"Profiling (computer programming)","score":0.6896171569824219},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.6559982895851135},{"id":"https://openalex.org/keywords/suite","display_name":"Suite","score":0.57645183801651},{"id":"https://openalex.org/keywords/intranet","display_name":"Intranet","score":0.5129232406616211},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.24583783745765686},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.17412662506103516},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.10129532217979431},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.0924929678440094}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7420856356620789},{"id":"https://openalex.org/C156340839","wikidata":"https://www.wikidata.org/wiki/Q2704791","display_name":"Enumeration","level":2,"score":0.7211689949035645},{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.6896171569824219},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.6559982895851135},{"id":"https://openalex.org/C79581498","wikidata":"https://www.wikidata.org/wiki/Q1367530","display_name":"Suite","level":2,"score":0.57645183801651},{"id":"https://openalex.org/C2778059363","wikidata":"https://www.wikidata.org/wiki/Q483426","display_name":"Intranet","level":3,"score":0.5129232406616211},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.24583783745765686},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.17412662506103516},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.10129532217979431},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0924929678440094},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.0},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003628","descriptor_name":"Database Management Systems","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007202","descriptor_name":"Indicators and Reagents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011381","descriptor_name":"Programming Languages","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011381","descriptor_name":"Programming Languages","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011381","descriptor_name":"Programming Languages","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020650","descriptor_name":"Combinatorial Chemistry Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci9904259","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9904259","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"},{"id":"pmid:10614028","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/10614028","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"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":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5099999904632568}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":11,"referenced_works":["https://openalex.org/W1995517220","https://openalex.org/W2002925793","https://openalex.org/W2010595835","https://openalex.org/W2013727775","https://openalex.org/W2038441750","https://openalex.org/W2051810242","https://openalex.org/W2059737570","https://openalex.org/W2070505475","https://openalex.org/W2075101456","https://openalex.org/W4240703037","https://openalex.org/W4248107770"],"related_works":["https://openalex.org/W2374107376","https://openalex.org/W108845024","https://openalex.org/W4241047679","https://openalex.org/W562045822","https://openalex.org/W2379752699","https://openalex.org/W2493140802","https://openalex.org/W2754858745","https://openalex.org/W2028692324","https://openalex.org/W2347957298","https://openalex.org/W2498491176"],"abstract_inverted_index":{"We":[0,79],"describe":[1,80],"an":[2],"integrated":[3],"suite":[4],"of":[5,16,24],"computational":[6,43],"tools":[7],"which":[8],"are":[9,29,40],"used":[10,41,56,64],"to":[11,54,58,65,91],"assist":[12],"in":[13,31,76],"the":[14,22,49],"selection":[15,87],"compounds":[17],"for":[18,69,73,85],"biological":[19],"assays":[20],"and":[21,39,45,72,88],"design":[23],"combinatorial":[25],"libraries.":[26,78],"These":[27],"functions":[28],"delivered":[30],"a":[32,36,81],"platform-independent":[33],"manner":[34],"via":[35],"corporate":[37],"intranet":[38],"by":[42],"experts":[44],"nonexperts":[46],"alike.":[47],"While":[48],"system":[50],"was":[51],"primarily":[52],"designed":[53],"be":[55,63],"prior":[57],"synthesis,":[59],"it":[60,90],"can":[61],"also":[62],"provide":[66],"structural":[67],"information":[68],"library":[70],"registration":[71],"decoding":[74],"beads":[75],"tagged":[77],"simple":[82],"statistical":[83],"method":[84],"monomer":[86],"compare":[89],"computationally":[92],"more":[93],"demanding":[94],"approaches.":[95]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":3},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":6},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":4}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}