{"id":"https://openalex.org/W4388891970","doi":"https://doi.org/10.1093/bib/bbad419","title":"FormulationAI: a novel web-based platform for drug formulation design driven by artificial intelligence","display_name":"FormulationAI: a novel web-based platform for drug formulation design driven by artificial intelligence","publication_year":2023,"publication_date":"2023-11-22","ids":{"openalex":"https://openalex.org/W4388891970","doi":"https://doi.org/10.1093/bib/bbad419","pmid":"https://pubmed.ncbi.nlm.nih.gov/37991246"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbad419","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad419","pdf_url":"https://academic.oup.com/bib/article-pdf/25/1/bbad419/55464864/bbad419.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bib/article-pdf/25/1/bbad419/55464864/bbad419.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5004795100","display_name":"Jie Dong","orcid":"https://orcid.org/0000-0002-3324-9000"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]},{"id":"https://openalex.org/I204512498","display_name":"University of Macau","ror":"https://ror.org/01r4q9n85","country_code":"MO","type":"education","lineage":["https://openalex.org/I204512498"]}],"countries":["CN","MO"],"is_corresponding":false,"raw_author_name":"Jie Dong","raw_affiliation_strings":["Central South University Xiangya School of Pharmaceutical Sciences, , Changsha, China","Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Central South University Xiangya School of Pharmaceutical Sciences, , Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China","institution_ids":["https://openalex.org/I204512498"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111406370","display_name":"Zheng Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I204512498","display_name":"University of Macau","ror":"https://ror.org/01r4q9n85","country_code":"MO","type":"education","lineage":["https://openalex.org/I204512498"]}],"countries":["MO"],"is_corresponding":false,"raw_author_name":"Zheng Wu","raw_affiliation_strings":["Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China","institution_ids":["https://openalex.org/I204512498"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017636962","display_name":"Huanle Xu","orcid":"https://orcid.org/0000-0001-6657-1154"},"institutions":[{"id":"https://openalex.org/I204512498","display_name":"University of Macau","ror":"https://ror.org/01r4q9n85","country_code":"MO","type":"education","lineage":["https://openalex.org/I204512498"]}],"countries":["MO"],"is_corresponding":false,"raw_author_name":"Huanle Xu","raw_affiliation_strings":["University of Macau Faculty of Science and Technology, , Macau, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Macau Faculty of Science and Technology, , Macau, China","institution_ids":["https://openalex.org/I204512498"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024615233","display_name":"Defang Ouyang","orcid":"https://orcid.org/0000-0002-8052-4773"},"institutions":[{"id":"https://openalex.org/I204512498","display_name":"University of Macau","ror":"https://ror.org/01r4q9n85","country_code":"MO","type":"education","lineage":["https://openalex.org/I204512498"]}],"countries":["MO"],"is_corresponding":true,"raw_author_name":"Defang Ouyang","raw_affiliation_strings":["Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China"],"raw_orcid":"https://orcid.org/0000-0002-8052-4773","affiliations":[{"raw_affiliation_string":"Institute of Chinese Medical Sciences (ICMS), State Key Laboratory of Quality Research in Chinese Medicine, University of Macau , Macau, China","institution_ids":["https://openalex.org/I204512498"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5024615233"],"corresponding_institution_ids":["https://openalex.org/I204512498"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":10.3999,"has_fulltext":true,"cited_by_count":72,"citation_normalized_percentile":{"value":0.98854007,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"25","issue":"1","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":0.9998999834060669,"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":0.9998999834060669,"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":0.9901000261306763,"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/T10256","display_name":"Drug Solubulity and Delivery Systems","score":0.989300012588501,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6890212297439575},{"id":"https://openalex.org/keywords/pharmaceutical-industry","display_name":"Pharmaceutical industry","score":0.5875329375267029},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.5821558237075806},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.5338804721832275},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.41326117515563965},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.379130095243454},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.16392943263053894}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6890212297439575},{"id":"https://openalex.org/C2779652045","wikidata":"https://www.wikidata.org/wiki/Q507443","display_name":"Pharmaceutical industry","level":2,"score":0.5875329375267029},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.5821558237075806},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5338804721832275},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.41326117515563965},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.379130095243454},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.16392943263053894},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004339","descriptor_name":"Drug Compounding","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004339","descriptor_name":"Drug Compounding","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004339","descriptor_name":"Drug Compounding","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004339","descriptor_name":"Drug Compounding","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004339","descriptor_name":"Drug Compounding","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbad419","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad419","pdf_url":"https://academic.oup.com/bib/article-pdf/25/1/bbad419/55464864/bbad419.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:37991246","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37991246","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":"Briefings in bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10783856","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10783856","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10783856/pdf/bbad419.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbad419","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad419","pdf_url":"https://academic.oup.com/bib/article-pdf/25/1/bbad419/55464864/bbad419.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5799999833106995}],"awards":[{"id":"https://openalex.org/G3126734869","display_name":null,"funder_award_id":"MYRG-CRG2022-00008-ICMS","funder_id":"https://openalex.org/F4320322841","funder_display_name":"Universidade de Macau"},{"id":"https://openalex.org/G6289434933","display_name":null,"funder_award_id":"22003078","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322841","display_name":"Universidade de Macau","ror":"https://ror.org/01r4q9n85"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4388891970.pdf"},"referenced_works_count":49,"referenced_works":["https://openalex.org/W1767392650","https://openalex.org/W1975147762","https://openalex.org/W2003116735","https://openalex.org/W2032935543","https://openalex.org/W2040648912","https://openalex.org/W2043297260","https://openalex.org/W2050271125","https://openalex.org/W2074080759","https://openalex.org/W2079191942","https://openalex.org/W2089752619","https://openalex.org/W2105502591","https://openalex.org/W2195203261","https://openalex.org/W2295598076","https://openalex.org/W2401088225","https://openalex.org/W2768348081","https://openalex.org/W2794498378","https://openalex.org/W2910096450","https://openalex.org/W2911964244","https://openalex.org/W2913037494","https://openalex.org/W2944375531","https://openalex.org/W2944969368","https://openalex.org/W2971199424","https://openalex.org/W2972497960","https://openalex.org/W3011143677","https://openalex.org/W3013269370","https://openalex.org/W3037705025","https://openalex.org/W3040859487","https://openalex.org/W3048377477","https://openalex.org/W3094492244","https://openalex.org/W3113622021","https://openalex.org/W3129250023","https://openalex.org/W3145485668","https://openalex.org/W3158451815","https://openalex.org/W3163880690","https://openalex.org/W3166373918","https://openalex.org/W3195421105","https://openalex.org/W3207844268","https://openalex.org/W3210813272","https://openalex.org/W4200371786","https://openalex.org/W4200442859","https://openalex.org/W4210350245","https://openalex.org/W4239510810","https://openalex.org/W4281296957","https://openalex.org/W4296032898","https://openalex.org/W4310774823","https://openalex.org/W6687693294","https://openalex.org/W6745609711","https://openalex.org/W6749494330","https://openalex.org/W6804902554"],"related_works":["https://openalex.org/W3037187668","https://openalex.org/W2380685755","https://openalex.org/W3021540629","https://openalex.org/W101937606","https://openalex.org/W2252100032","https://openalex.org/W2963436428","https://openalex.org/W3171253712","https://openalex.org/W2171591485","https://openalex.org/W1200423363","https://openalex.org/W2734796617"],"abstract_inverted_index":{"Today,":[0],"pharmaceutical":[1,62,91,182],"industry":[2,92],"faces":[3],"great":[4],"pressure":[5],"to":[6,45,54,176],"employ":[7],"more":[8],"efficient":[9,49,141],"and":[10,16,37,48,107,113,125,130,136,146,160],"systematic":[11,128],"ways":[12],"in":[13,33,73,89,181],"drug":[14,86],"discovery":[15],"development":[17,53],"process.":[18],"However,":[19],"conventional":[20],"formulation":[21,52,75,87,151,179],"studies":[22],"still":[23],"strongly":[24],"rely":[25],"on":[26],"personal":[27],"experiences":[28],"by":[29,127,154],"trial-and-error":[30],"experiments,":[31],"resulting":[32],"a":[34,67,173],"labor-consuming,":[35],"tedious":[36],"costly":[38],"pipeline.":[39],"Thus,":[40],"it":[41],"is":[42,163,185],"highly":[43],"required":[44],"develop":[46],"intelligent":[47,111],"methods":[50],"for":[51,72],"keep":[55],"pace":[56],"with":[57],"the":[58,61,78,90,120,150,164,178],"progress":[59],"of":[60,82,115,132,158],"industry.":[63,183],"Here,":[64],"we":[65],"developed":[66],"comprehensive":[68,80,168],"web-based":[69,169],"platform":[70,143],"(FormulationAI)":[71],"silico":[74],"design.":[76],"First,":[77],"most":[79],"datasets":[81],"six":[83,121],"widely":[84],"used":[85],"systems":[88,122],"were":[93,123],"collected":[94],"over":[95],"10":[96],"years,":[97],"including":[98],"cyclodextrin":[99],"formulation,":[100],"solid":[101],"dispersion,":[102],"phospholipid":[103],"complex,":[104],"nanocrystals,":[105],"self-emulsifying":[106],"liposome":[108],"systems.":[109],"Then,":[110],"prediction":[112,142],"evaluation":[114],"16":[116],"important":[117],"properties":[118],"from":[119],"investigated":[124],"implemented":[126],"study":[129],"comparison":[131],"different":[133],"AI":[134],"algorithms":[135],"molecular":[137],"representations.":[138],"Finally,":[139],"an":[140],"was":[144],"established":[145],"validated,":[147],"which":[148,171],"enables":[149],"design":[152,180],"just":[153],"inputting":[155],"basic":[156],"information":[157],"drugs":[159],"excipients.":[161],"FormulationAI":[162],"first":[165],"freely":[166],"available":[167,186],"platform,":[170],"provides":[172],"powerful":[174],"solution":[175],"assist":[177],"It":[184],"at":[187],"https://formulationai.computpharm.org/.":[188]},"counts_by_year":[{"year":2026,"cited_by_count":18},{"year":2025,"cited_by_count":39},{"year":2024,"cited_by_count":14},{"year":2023,"cited_by_count":1}],"updated_date":"2026-07-17T09:13:05.818461","created_date":"2025-10-10T00:00:00"}