{"id":"https://openalex.org/W17285715","doi":null,"title":"Evolutionary computational methods to predict oral bioavailability QSPRs.","display_name":"Evolutionary computational methods to predict oral bioavailability QSPRs.","publication_year":2002,"publication_date":"2002-01-01","ids":{"openalex":"https://openalex.org/W17285715","mag":"17285715","pmid":"https://pubmed.ncbi.nlm.nih.gov/11865672"},"language":"en","primary_location":{"id":"pmid:11865672","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11865672","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,"listed_in":[],"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":"Current opinion in drug discovery & development","raw_type":"Journal Article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["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/A5004962359","display_name":"William Bains","orcid":"https://orcid.org/0000-0001-5503-3764","observed_orcids":["https://orcid.org/0000-0001-5503-3764"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"William Bains","raw_affiliation_strings":["Amedis Pharmaceuticals, Unit 209, Cambridge Science Park, Milton Road, Cambridge, CB4 OGZ, UK. william.bains@amedis-pharma.com"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Amedis Pharmaceuticals, Unit 209, Cambridge Science Park, Milton Road, Cambridge, CB4 OGZ, UK. william.bains@amedis-pharma.com","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"Richard Gilbert","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Richard Gilbert","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002502701","display_name":"Lilya Sviridenko","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Lilya Sviridenko","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009890875","display_name":"Jose-Miguel Gascon","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jose-Miguel Gascon","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000366606","display_name":"Robert A. Scoffin","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Robert Scoffin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079422241","display_name":"Kris Birchall","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kris Birchall","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055785012","display_name":"Inman R. Harvey","orcid":"https://orcid.org/0000-0003-0222-211X","observed_orcids":["https://orcid.org/0000-0003-0222-211X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Inman Harvey","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5035617115","display_name":"John Caldwell","orcid":"https://orcid.org/0000-0001-9141-5452","observed_orcids":["https://orcid.org/0000-0001-9141-5452"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John Caldwell","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":1.7291,"has_fulltext":false,"cited_by_count":29,"citation_normalized_percentile":{"value":0.80859375,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":93},"biblio":{"volume":"5","issue":"1","first_page":"44","last_page":"51"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10256","display_name":"Drug Solubulity and Delivery Systems","score":0.0005000000237487257,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11975","display_name":"Evolutionary Algorithms and Applications","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/oral-bioavailability","display_name":"oral bioavailability","score":0.9509999752044678},{"id":"https://openalex.org/keywords/quantitative-structure-property-relationship","display_name":"QSPR","score":0.8389999866485596},{"id":"https://openalex.org/keywords/genetic-programming","display_name":"genetic programming","score":0.8669999837875366},{"id":"https://openalex.org/keywords/evolutionary-computation","display_name":"evolutionary computation","score":0.7300000190734863},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.6610000133514404},{"id":"https://openalex.org/keywords/drug-absorption","display_name":"drug absorption","score":0.6909999847412109},{"id":"https://openalex.org/keywords/high-dimensional-data","display_name":"high-dimensional data","score":0.7990000247955322},{"id":"https://openalex.org/keywords/noisy-data","display_name":"noisy data","score":0.9679999947547913},{"id":"https://openalex.org/keywords/binary-classification","display_name":"binary classification","score":0.6060000061988831},{"id":"https://openalex.org/keywords/hybrid-model","display_name":"hybrid model","score":0.5329999923706055},{"id":"https://openalex.org/keywords/in-silico-prediction","display_name":"in silico prediction","score":0.5820000171661377}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6337051391601562},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6285946369171143},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.625645637512207},{"id":"https://openalex.org/C110332635","wikidata":"https://www.wikidata.org/wiki/Q629498","display_name":"Genetic programming","level":2,"score":0.5348208546638489},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.475094199180603},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.4655160903930664},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.42445114254951477},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19064483046531677},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16219255328178406},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001682","descriptor_name":"Biological Availability","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002627","descriptor_name":"Chemistry, Physical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011237","descriptor_name":"Predictive Value of Tests","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055598","descriptor_name":"Chemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"pmid:11865672","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11865672","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,"listed_in":[],"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":"Current opinion in drug discovery & development","raw_type":"Journal Article"},{"id":"pmh:oai:figshare.com:article/23341349","doi":null,"is_oa":false,"landing_page_url":"https://figshare.com/articles/journal_contribution/Evolutionary_computational_methods_to_predict_oral_bioavailability_QSPRs/23341349","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"mag:17285715","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11865672","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,"listed_in":[],"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":null,"is_accepted":false,"is_published":false,"raw_source_name":"PubMed","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1774095334","https://openalex.org/W2132598957","https://openalex.org/W2077483199","https://openalex.org/W2801767769","https://openalex.org/W2070603512","https://openalex.org/W2152837692","https://openalex.org/W7100115922","https://openalex.org/W2131376332","https://openalex.org/W3157530217","https://openalex.org/W7162448309"],"abstract_inverted_index":{"This":[0],"review":[1],"discusses":[2],"evolutionary":[3,22],"and":[4,43,56,112,148],"adaptive":[5],"methods":[6,31],"for":[7,32,67],"predicting":[8],"oral":[9,146],"bioavailability":[10],"(OB)":[11],"from":[12,131,139],"chemical":[13],"structure.":[14],"Genetic":[15],"Programming":[16],"(GP),":[17],"a":[18,99],"specific":[19],"form":[20],"of":[21,50,77,84,91,103,142,145,151,159,162],"computing,":[23],"is":[24,54],"compared":[25],"with":[26,98,109,120],"some":[27],"other":[28],"advanced":[29,152],"computational":[30],"OB":[33,45,78],"prediction.":[34],"The":[35,70],"results":[36,71],"show":[37],"that":[38,63,74,93,122,135],"classifying":[39],"drugs":[40],"into":[41],"'high'":[42],"'low'":[44],"classes":[46],"on":[47],"the":[48,85,89,143,149,157,160],"basis":[49],"their":[51],"structure":[52],"alone":[53],"solvable,":[55],"initial":[57],"models":[58,134,141,164],"are":[59,123,136],"already":[60],"producing":[61],"output":[62],"would":[64],"be":[65,80],"useful":[66],"pharmaceutical":[68],"research.":[69],"also":[72],"suggest":[73],"quantitative":[75,127],"prediction":[76],"will":[79,87,129],"tractable.":[81],"Critical":[82],"aspects":[83],"solution":[86],"involve":[88],"use":[90],"techniques":[92,154],"can:":[94],"(i)":[95],"handle":[96],"problems":[97],"very":[100],"large":[101],"number":[102],"variables":[104],"(high":[105],"dimensionality);":[106],"(ii)":[107],"cope":[108],"'noisy'":[110],"data;":[111],"(iii)":[113],"implement":[114],"binary":[115],"choices":[116],"to":[117,155],"sub-classify":[118],"molecules":[119],"behavior":[121,158],"qualitatively":[124],"different.":[125],"Detailed":[126],"predictions":[128],"emerge":[130],"more":[132],"refined":[133],"hybrids":[137],"derived":[138],"mechanistic":[140],"biology":[144],"absorption":[147],"power":[150],"computing":[153],"predict":[156],"components":[161],"those":[163],"in":[165],"silico.":[166]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
