{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T08:29:03Z","timestamp":1793694543833,"version":"4.5.1"},"reference-count":47,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T00:00:00Z","timestamp":1790121600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004733","name":"Universidade de Macau","doi-asserted-by":"publisher","award":["MYRG-GRG2024-00123-ICMS-UMDF"],"award-info":[{"award-number":["MYRG-GRG2024-00123-ICMS-UMDF"]}],"id":[{"id":"10.13039\/501100004733","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004733","name":"Universidade de Macau","doi-asserted-by":"publisher","award":["MYRG-CRG2025-00006-ICMS-ICI"],"award-info":[{"award-number":["MYRG-CRG2025-00006-ICMS-ICI"]}],"id":[{"id":"10.13039\/501100004733","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2025YFC2311600"],"award-info":[{"award-number":["2025YFC2311600"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006469","name":"Fundo para o Desenvolvimento das Ci\u00eancias e da Tecnologia","doi-asserted-by":"publisher","award":["0071\/2024\/RIA1"],"award-info":[{"award-number":["0071\/2024\/RIA1"]}],"id":[{"id":"10.13039\/501100006469","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006469","name":"Fundo para o Desenvolvimento das Ci\u00eancias e da Tecnologia","doi-asserted-by":"publisher","award":["0037\/2025\/RIB1"],"award-info":[{"award-number":["0037\/2025\/RIB1"]}],"id":[{"id":"10.13039\/501100006469","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Pharmacological Research"],"published-print":{"date-parts":[[2026,11]]},"DOI":"10.1016\/j.phrs.2026.109639","type":"journal-article","created":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T15:53:04Z","timestamp":1790265184000},"page":"109639","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["A RISKmilk framework for predicting drug and chemical exposure in human milk during breastfeeding"],"prefix":"10.1016","volume":"233","author":[{"given":"Xinyang","family":"Liu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ping","family":"Xiong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nannan","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jinying","family":"Zhu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-4873-5257","authenticated-orcid":false,"given":"Yinyun","family":"Qin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dunjin","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9498-1684","authenticated-orcid":false,"given":"Jingsi","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8052-4773","authenticated-orcid":false,"given":"Defang","family":"Ouyang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.phrs.2026.109639_bib1","series-title":"Global nutrition targets 2030: breastfeeding brief","article-title":"United Nations Children\u2019s Fund (UNICEF)","author":"World Health Organization","year":"2025"},{"key":"10.1016\/j.phrs.2026.109639_bib2","doi-asserted-by":"crossref","DOI":"10.1002\/bcp.70139","article-title":"Troelsen J. Prescription drug use in breastfeeding mothers and infant exposure: a register-based cohort study","author":"Gotfredsen","year":"2025","journal-title":"Br. J. Clin. Pharmacol."},{"issue":"10","key":"10.1016\/j.phrs.2026.109639_bib3","doi-asserted-by":"crossref","first-page":"4311","DOI":"10.1111\/bcp.14538","article-title":"Infant drug exposure via breast milk","volume":"88","author":"Verstegen","year":"2022","journal-title":"Br. J. Clin. Pharmacol."},{"key":"10.1016\/j.phrs.2026.109639_bib4","doi-asserted-by":"crossref","DOI":"10.1016\/j.taap.2023.116495","article-title":"Systematic review of physiologically based kinetic lactation models for transfer of xenobiotic compounds to milk","author":"Dubbelboer","year":"2023","journal-title":"Toxicol. Appl. Pharmacol."},{"issue":"9","key":"10.1016\/j.phrs.2026.109639_bib5","doi-asserted-by":"crossref","first-page":"796","DOI":"10.1002\/jps.2600770916","article-title":"Relationship between human milk lipid-ultrafiltrate and octanol-water partition coefficients","volume":"77","author":"Atkinson","year":"1988","journal-title":"J. Pharm. Sci."},{"issue":"5","key":"10.1016\/j.phrs.2026.109639_bib6","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1007\/BF02533550","article-title":"Composition of the lipids in human milk: A review","volume":"15","author":"Jensen","year":"1980","journal-title":"Lipids"},{"issue":"2","key":"10.1016\/j.phrs.2026.109639_bib7","doi-asserted-by":"crossref","first-page":"151","DOI":"10.2165\/00003088-199018020-00005","article-title":"Prediction of Drug Distribution into Human Milk from Physicochemical Characteristics","volume":"18","author":"Atkinson","year":"1990","journal-title":"Clin. Pharmacokinet."},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib8","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1111\/j.1365-2125.1988.tb03334.x","article-title":"Prediction of drug concentrations in human skim milk from plasma protein binding and acid-base characteristics","volume":"25","author":"Atkinson","year":"1988","journal-title":"Brit J. Clin. Pharma"},{"issue":"12","key":"10.1016\/j.phrs.2026.109639_bib9","doi-asserted-by":"crossref","first-page":"2370","DOI":"10.1124\/dmd.111.040972","article-title":"Analysis and Prediction of Drug Transfer into Human Milk Taking into Consideration Secretion and Reuptake Clearances across the Mammary Epithelia","volume":"39","author":"Koshimichi","year":"2011","journal-title":"Drug. Metab. Dispos."},{"issue":"11","key":"10.1016\/j.phrs.2026.109639_bib10","doi-asserted-by":"crossref","first-page":"1841","DOI":"10.1002\/psp4.13232","article-title":"A tutorial on physiologically based pharmacokinetic approaches in lactation research","volume":"13","author":"Pansari","year":"2024","journal-title":"CPT Pharm. & Syst. Pharma"},{"issue":"12","key":"10.1016\/j.phrs.2026.109639_bib11","doi-asserted-by":"crossref","first-page":"1637","DOI":"10.1002\/jcph.70093","article-title":"Application of lactation physiologically based pharmacokinetic modeling to predict milk exposure of passively diffused Drugs","volume":"65","author":"Kayesh","year":"2025","journal-title":"J. Clin. Pharma"},{"issue":"9","key":"10.1016\/j.phrs.2026.109639_bib12","doi-asserted-by":"crossref","first-page":"1470","DOI":"10.1002\/psp4.70066","article-title":"Predicting drug transfer into human milk with the simcyp simulator: a contribution from the conception project","volume":"14","author":"Macente","year":"2025","journal-title":"CPT Pharm. & Syst. Pharma"},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib13","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1007\/s10928-020-09706-z","article-title":"Integration of physiological changes during the postpartum period into a PBPK framework and prediction of amoxicillin disposition before and shortly after delivery","volume":"47","author":"Dallmann","year":"2020","journal-title":"J. Pharmacokinet. Pharmacodyn."},{"key":"10.1016\/j.phrs.2026.109639_bib14","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2025.1517069","article-title":"Postpartum changes in maternal physiology and milk composition: a comprehensive database for developing lactation physiologically-based pharmacokinetic models","volume":"16","author":"Deferm","year":"2025","journal-title":"Front. Pharmacol."},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib15","doi-asserted-by":"crossref","first-page":"865","DOI":"10.1002\/cpt.3732","article-title":"An integrated AI-PBPK platform for predicting drug in vivo fate and tissue distribution in human and inter-species extrapolation","volume":"118","author":"Wang","year":"2025","journal-title":"Clin. Pharmacol. & Ther."},{"key":"10.1016\/j.phrs.2026.109639_bib16","doi-asserted-by":"crossref","first-page":"1369","DOI":"10.1007\/s11095-024-03725-y","article-title":"A combination of machine learning and PBPK modeling approach for pharmacokinetics prediction of small molecules in humans","volume":"41","author":"Li","year":"2024","journal-title":"Pharm. Res."},{"issue":"1","key":"10.1016\/j.phrs.2026.109639_bib17","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1093\/toxsci\/kfac101","article-title":"Machine learning and artificial intelligence in physiologically based pharmacokinetic modeling","volume":"191","author":"Chou","year":"2023","journal-title":"Toxicol. Sci."},{"key":"10.1016\/j.phrs.2026.109639_bib18","unstructured":"National Institute of Child Health and Human Development. Drugs and Lactation Database (LactMed\u00ae). National Institute of Child Health and Human Development, Bethesda (MD). Available from: https:\/\/www.ncbi.nlm.nih.gov\/books\/NBK501922\/."},{"issue":"5","key":"10.1016\/j.phrs.2026.109639_bib19","doi-asserted-by":"crossref","first-page":"468","DOI":"10.1002\/wcms.1183","article-title":"Machine learning methods in chemoinformatics","volume":"4","author":"Mitchell","year":"2014","journal-title":"WIREs Comput. Mol. Sci."},{"issue":"8045","key":"10.1016\/j.phrs.2026.109639_bib20","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1038\/s41586-024-08328-6","article-title":"Accurate predictions on small data with a tabular foundation model","volume":"637","author":"Hollmann","year":"2025","journal-title":"Nature"},{"key":"10.1016\/j.phrs.2026.109639_bib21","doi-asserted-by":"crossref","DOI":"10.1016\/j.jconrel.2025.114418","article-title":"FormulationLAI: A physiology-based machine learning framework for accelerated development of long-acting injectable formulations","volume":"389","author":"Xiong","year":"2026","journal-title":"J. Control. Release"},{"key":"10.1016\/j.phrs.2026.109639_bib22","doi-asserted-by":"crossref","DOI":"10.1016\/j.jconrel.2025.114123","article-title":"Integrating artificial intelligence and physiologically based pharmacokinetic modeling to predict in vitro and in vivo fate of amorphous solid dispersions","volume":"386","author":"Zhu","year":"2025","journal-title":"J. Control. Release"},{"key":"10.1016\/j.phrs.2026.109639_bib23","unstructured":"U.S. Food and Drug Administration. Drugs@FDA Data Files. Available from: https:\/\/www.fda.gov\/drugs\/drug-approvals-and-databases\/drugsfda-data-files."},{"key":"10.1016\/j.phrs.2026.109639_bib24","unstructured":"U.S. Food and Drug Administration. Substances Added to Food (formerly EAFUS). U.S. Food and Drug Administration. Available from: https:\/\/www.fda.gov\/food\/food-additives-petitions\/substances-added-food-formerly-eafus."},{"key":"10.1016\/j.phrs.2026.109639_bib25","unstructured":"National Center for Protein Sciences (Beijing). BATMAN-TCM 2.0. Available from: http:\/\/bionet.ncpsb.org.cn\/batman-tcm\/#\/home."},{"key":"10.1016\/j.phrs.2026.109639_bib26","unstructured":"U.S. Food and Drug Administration. Clinical Lactation Studies: Considerations for Study Design Guidance for Industry. Center for Drug Evaluation and Research; Center for Biologics Evaluation and Research. Available from: https:\/\/www.fda.gov\/media\/124749\/download."},{"key":"10.1016\/j.phrs.2026.109639_bib27","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1155\/2022\/2164558","article-title":"Carboxylic Acid Bioisosteres in Medicinal Chemistry: Synthesis and Properties","volume":"2022","author":"Bredael","year":"2022","journal-title":"J. Chem."},{"key":"10.1016\/j.phrs.2026.109639_bib28","unstructured":"Talevi A., editor. The ADME Encyclopedia: A Comprehensive Guide on Biopharmacy and Pharmacokinetics. Springer International Publishing, Cham. Available from: https:\/\/link.springer.com\/10.1007\/978-3-030-84860-6."},{"issue":"1\u20132","key":"10.1016\/j.phrs.2026.109639_bib29","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/S0731-7085(02)00037-7","article-title":"Molecular descriptors that influence the amount of drugs transfer into human breast milk","volume":"29","author":"Agatonovic-Kustrin","year":"2002","journal-title":"J. Pharm. Biomed. Anal."},{"issue":"11","key":"10.1016\/j.phrs.2026.109639_bib30","doi-asserted-by":"crossref","first-page":"4896","DOI":"10.1039\/D3NJ05476D","article-title":"Manikandan Sreerag; Cherumuttathu H. Suresh. Quantifying the hydrogen-bond propensity of drugs and its relationship with Lipinski\u2019s rule of five","volume":"48","author":"Mambatta Haritha","year":"2024","journal-title":"New. J. Chem."},{"key":"10.1016\/j.phrs.2026.109639_bib31","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Haloperidol","author":"National Library of Medicine (US)","year":"2025"},{"key":"10.1016\/j.phrs.2026.109639_bib32","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Paliperidone","year":"2006"},{"issue":"2","key":"10.1016\/j.phrs.2026.109639_bib33","doi-asserted-by":"crossref","first-page":"112","DOI":"10.15420\/cfr.2018.21.2","article-title":"Postpartum Cardiomyopathy and Considerations for Breastfeeding","volume":"4","author":"Kearney","year":"2018","journal-title":"Card. Fail. Rev."},{"key":"10.1016\/j.phrs.2026.109639_bib34","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Naratriptan","author":"National Library of Medicine (US)","year":"2025"},{"key":"10.1016\/j.phrs.2026.109639_bib35","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Miglitol","year":"2006"},{"key":"10.1016\/j.phrs.2026.109639_bib36","unstructured":"U.S. Food and Drug Administration. Pizensy (lactitol) NDA 211281: other review(s). Silver Spring (MD): U.S. Food and Drug Administration; 2020. Available from: FDA Drugs@FDA."},{"key":"10.1016\/j.phrs.2026.109639_bib37","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Clozapine","year":"2006"},{"key":"10.1016\/j.phrs.2026.109639_bib38","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Meperidine","year":"2006"},{"key":"10.1016\/j.phrs.2026.109639_bib39","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Cladribine","year":"2006"},{"key":"10.1016\/j.phrs.2026.109639_bib40","unstructured":"DailyMed. Cevimeline hydrochloride capsule. Bethesda (MD): National Library of Medicine (US). Available from: https:\/\/dailymed.nlm.nih.gov\/dailymed\/drugInfo.cfm?setid=d08d8aa5-76a4-417a-a308-7d195865522f."},{"key":"10.1016\/j.phrs.2026.109639_bib41","unstructured":"DailyMed. EXXUA \u2014 gepirone tablet, extended release. DailyMed. Available from: https:\/\/dailymed.nlm.nih.gov\/dailymed\/drugInfo.cfm?setid=0c78edd8-6acb-433c-9d34-2527da8d64e1."},{"key":"10.1016\/j.phrs.2026.109639_bib42","unstructured":"Rosemont Pharmaceuticals Limited. Promazine Hydrochloride 25 mg\/5 mL Oral Syrup: Summary of Product Characteristics (SmPC) [Internet]. electronic Medicines Compendium; updated 2025 Mar 17. Available from: https:\/\/www.medicines.org.uk\/emc\/product\/6697\/smpc."},{"key":"10.1016\/j.phrs.2026.109639_bib43","series-title":"Drugs and Lactation Database (LactMed\u00ae)","article-title":"Hydroxychloroquine","year":"2006"},{"issue":"8","key":"10.1016\/j.phrs.2026.109639_bib44","doi-asserted-by":"crossref","first-page":"878","DOI":"10.1002\/psp4.12662","article-title":"Prediction of drug concentrations in milk during breastfeeding, integrating predictive algorithms within a physiologically-based pharmacokinetic model","volume":"10","author":"Abduljalil","year":"2021","journal-title":"CPT Pharm. & Syst. Pharma"},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib45","doi-asserted-by":"crossref","first-page":"738","DOI":"10.1002\/psp4.13311","article-title":"PBPK -Led Assessment of Antimalarial Drug Concentrations in Breastmilk: A Strategy for Optimal Use of Prediction Methods to Guide Decision Making in an Understudied Population","volume":"14","author":"Almond","year":"2025","journal-title":"CPT Pharm. & Syst. Pharma [Internet]"},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib46","doi-asserted-by":"crossref","first-page":"217","DOI":"10.2165\/00003088-198814040-00003","article-title":"Drugs in Human Milk: Clinical Pharmacokinetic Considerations","volume":"14","author":"Atkinson","year":"1988","journal-title":"Clin. Pharmacokinet."},{"issue":"4","key":"10.1016\/j.phrs.2026.109639_bib47","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1080\/17425255.2025.2461479","article-title":"Transporters and drug secretion into human breast milk","volume":"21","author":"Beers","year":"2025","journal-title":"Expert. Opin. Drug. Metab. & Toxicol."}],"container-title":["Pharmacological Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1043661826015549?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1043661826015549?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T08:04:41Z","timestamp":1793693081000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1043661826015549"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,11]]},"references-count":47,"alternative-id":["S1043661826015549"],"URL":"https:\/\/doi.org\/10.1016\/j.phrs.2026.109639","relation":{},"ISSN":["1043-6618"],"issn-type":[{"value":"1043-6618","type":"print"}],"subject":[],"published":{"date-parts":[[2026,11]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A RISKmilk framework for predicting drug and chemical exposure in human milk during breastfeeding","name":"articletitle","label":"Article Title"},{"value":"Pharmacological Research","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.phrs.2026.109639","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"109639"}}