{"entity": "researcher", "timestamp": "2026-03-10T02:48:52.559Z", "family": "Mullowney", "given": "Michael W", "initials": "MW", "orcid": "0000-0002-2884-4307", "affiliations": ["Duchossois Family Institute, The University of Chicago, Chicago, IL, USA."], "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/researcher/8476ba2bc9314aad807a40d831242b75.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/researcher/8476ba2bc9314aad807a40d831242b75"}}, "publications": [{"entity": "publication", "iuid": "f7bf0dc0c9004aa49322742f07c120d5", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/f7bf0dc0c9004aa49322742f07c120d5.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/f7bf0dc0c9004aa49322742f07c120d5"}}, "title": "Artificial intelligence for natural product drug discovery.", "authors": [{"family": "Mullowney", "given": "Michael W", "initials": "MW", "orcid": "0000-0002-2884-4307", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8476ba2bc9314aad807a40d831242b75.json"}}, {"family": "Duncan", "given": "Katherine R", "initials": "KR", "orcid": "0000-0002-3670-4849", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/d2e9739747a4491a95fbed8d68ce40fc.json"}}, {"family": "Elsayed", "given": "Somayah S", "initials": "SS", "orcid": "0000-0003-3837-6137", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1f561b9b107b4795a3c172909b70bca2.json"}}, {"family": "Garg", "given": "Neha", "initials": "N", "orcid": "0000-0002-2760-7123", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/c0a283a6f9c04dfa98f0649b0f85051d.json"}}, {"family": "van der Hooft", "given": "Justin J J", "initials": "JJJ", "orcid": "0000-0002-9340-5511", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5c3918b083fe4b31bfe49c2e2e7fcd07.json"}}, {"family": "Martin", "given": "Nathaniel I", "initials": "NI", "orcid": "0000-0001-8246-3006", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/ac5e6d2689244197a3f3c3e38bff0d34.json"}}, {"family": "Meijer", "given": "David", "initials": "D", "orcid": "0000-0001-6406-4394", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3bb3234e29e24d93847698b8e911b0c5.json"}}, {"family": "Terlouw", "given": "Barbara R", "initials": "BR", "orcid": "0000-0002-4058-6718", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/fb81ee96959d4808a7d3ba3806b18c0b.json"}}, {"family": "Biermann", "given": "Friederike", "initials": "F", "orcid": "0000-0002-9152-2562", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/108a3b323641477293ff28c5525afad8.json"}}, {"family": "Blin", "given": "Kai", "initials": "K", "orcid": "0000-0003-3764-6051", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f23a8d665db44e6a8acf61b0fd5b2fbe.json"}}, {"family": "Durairaj", "given": "Janani", "initials": "J", "orcid": "0000-0002-1698-4556", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/bbc37e3024a34e18b93c50bd7ce6c3a7.json"}}, {"family": "Gorostiola Gonz\u00e1lez", "given": "Marina", "initials": "M", "orcid": "0000-0003-1568-0881", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/88e4e7a563dd4687ad099c0b7708fd11.json"}}, {"family": "Helfrich", "given": "Eric J N", "initials": "EJN", "orcid": "0000-0001-8751-3279", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/a4f09854b1ec488e8b2ef6dfda71e25b.json"}}, {"family": "Huber", "given": "Florian", "initials": "F", "orcid": "0000-0002-3535-9406", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e7c22c2954074f2da5fcaa7fc9f0a699.json"}}, {"family": "Leopold-Messer", "given": "Stefan", "initials": "S", "orcid": "0000-0003-3490-3550", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/7a1b54ff23ae4c579fed531ff72ce940.json"}}, {"family": "Rajan", "given": "Kohulan", "initials": "K", "orcid": "0000-0003-1066-7792", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/98a81c8d47dc4e8a9ae1a85105705e39.json"}}, {"family": "de Rond", "given": "Tristan", "initials": "T", "orcid": "0000-0002-5203-4662", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f4bcb3518fd9488d8df8a867dcb63526.json"}}, {"family": "van Santen", "given": "Jeffrey A", "initials": "JA"}, {"family": "Sorokina", "given": "Maria", "initials": "M", "orcid": "0000-0001-9359-7149", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/cfb01cbc08b34f219caa9dab8150f3b0.json"}}, {"family": "Balunas", "given": "Marcy J", "initials": "MJ", "orcid": "0000-0003-2374-4048", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8c79210140b548b38bf9645e0f188c8b.json"}}, {"family": "Beniddir", "given": "Mehdi A", "initials": "MA", "orcid": "0000-0003-2153-4290", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/7c75378915464d5cac9e27ca3b6da03a.json"}}, {"family": "van Bergeijk", "given": "Doris A", "initials": "DA", "orcid": "0000-0002-2316-920X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/75fe47dab34b48ed904dc6c1c34bded8.json"}}, {"family": "Carroll", "given": "Laura M", "initials": "LM", "orcid": "0000-0002-3677-0192", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/02112eccb0664819af916a3c3dc79daa.json"}}, {"family": "Clark", "given": "Chase M", "initials": "CM", "orcid": "0000-0001-6439-9397", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/298f837e473d401a8e251f1d98c14365.json"}}, {"family": "Clevert", "given": "Djork-Arn\u00e9", "initials": "DA", "orcid": "0000-0003-4191-2156", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b2776b6cae0a4cdca185f32d38b7ee15.json"}}, {"family": "Dejong", "given": "Chris A", "initials": "CA"}, {"family": "Du", "given": "Chao", "initials": "C"}, {"family": "Ferrinho", "given": "Scarlet", "initials": "S", "orcid": "0000-0002-9621-848X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e98ba36db9a44567a4b3dedab1e21848.json"}}, {"family": "Grisoni", "given": "Francesca", "initials": "F", "orcid": "0000-0001-8552-6615", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/08cbe22fd6e54fd299b4b75fbf43234f.json"}}, {"family": "Hofstetter", "given": "Albert", "initials": "A"}, {"family": "Jespers", "given": "Willem", "initials": "W"}, {"family": "Kalinina", "given": "Olga V", "initials": "OV", "orcid": "0000-0002-9445-477X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/180c720541634ea89321400f525e3a98.json"}}, {"family": "Kautsar", "given": "Satria A", "initials": "SA"}, {"family": "Kim", "given": "Hyunwoo", "initials": "H", "orcid": "0000-0003-2473-8360", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e89727ab51434f5eb83ddd4c4442a243.json"}}, {"family": "Leao", "given": "Tiago F", "initials": "TF"}, {"family": "Masschelein", "given": "Joleen", "initials": "J", "orcid": "0000-0003-4366-3675", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/68757738a6db412e9c760724170692ad.json"}}, {"family": "Rees", "given": "Evan R", "initials": "ER"}, {"family": "Reher", "given": "Raphael", "initials": "R", "orcid": "0000-0002-5858-1173", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/cc11dc4aedfd4bf4a0583a48f1e1df4b.json"}}, {"family": "Reker", "given": "Daniel", "initials": "D", "orcid": "0000-0003-4789-7380", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/05b760d4547d4dedbe9e5a831201fc51.json"}}, {"family": "Schwaller", "given": "Philippe", "initials": "P"}, {"family": "Segler", "given": "Marwin", "initials": "M"}, {"family": "Skinnider", "given": "Michael A", "initials": "MA", "orcid": "0000-0002-2168-1621", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/7b079f1236994be9885ad7f4a63b3af6.json"}}, {"family": "Walker", "given": "Allison S", "initials": "AS"}, {"family": "Willighagen", "given": "Egon L", "initials": "EL", "orcid": "0000-0001-7542-0286", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f6af0a094c4a4ac1ab7fa07c7363ee21.json"}}, {"family": "Zdrazil", "given": "Barbara", "initials": "B", "orcid": "0000-0001-9395-1515", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3ac81e512aaf49b984436e937493c700.json"}}, {"family": "Ziemert", "given": "Nadine", "initials": "N"}, {"family": "Goss", "given": "Rebecca J M", "initials": "RJM", "orcid": "0000-0001-9869-8205", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/dd29853db52140e882865026de922027.json"}}, {"family": "Guyomard", "given": "Pierre", "initials": "P", "orcid": "0000-0003-3130-2258", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/424fcafc98354278b73bc0354b8ef328.json"}}, {"family": "Volkamer", "given": "Andrea", "initials": "A"}, {"family": "Gerwick", "given": "William H", "initials": "WH"}, {"family": "Kim", "given": "Hyun Uk", "initials": "HU", "orcid": "0000-0001-7224-642X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/238c901ce2094f32903057b5a528c3a9.json"}}, {"family": "M\u00fcller", "given": "Rolf", "initials": "R", "orcid": "0000-0002-1042-5665", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/692f22b3ace7461da94881ca5829e8ab.json"}}, {"family": "van Wezel", "given": "Gilles P", "initials": "GP", "orcid": "0000-0003-0341-1561", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/a5e3130ec34449cfbe63f74d618c2c0e.json"}}, {"family": "van Westen", "given": "Gerard J P", "initials": "GJP", "orcid": "0000-0003-0717-1817", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b487ce42d3ad4be795b97d3d41f95357.json"}}, {"family": "Hirsch", "given": "Anna K H", "initials": "AKH", "orcid": "0000-0001-8734-4663", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b306c036449c450c9fc51e8667544a2f.json"}}, {"family": "Linington", "given": "Roger G", "initials": "RG", "orcid": "0000-0003-1818-4971", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5c7ec1488df44dde8ae1df59459a7120.json"}}, {"family": "Robinson", "given": "Serina L", "initials": "SL", "orcid": "0000-0001-6947-7913", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/258518282d5f43268420a8bf71ddccd8.json"}}, {"family": "Medema", "given": "Marnix H", "initials": "MH", "orcid": "0000-0002-2191-2821", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/162de2f7977b43d89c6686361daa4fc4.json"}}], "type": "journal article", "published": "2023-11-00", "journal": {"title": "Nat Rev Drug Discov", "issn": "1474-1784", "volume": "22", "issue": "11", "pages": "895-916", "issn-l": "1474-1776"}, "abstract": "Developments in computational omics technologies have provided new means to access the hidden diversity of natural products, unearthing new potential for drug discovery. In parallel, artificial intelligence approaches such as machine learning have led to exciting developments in the computational drug design field, facilitating biological activity prediction and de novo drug design for molecular targets of interest. Here, we describe current and future synergies between these developments to effectively identify drug candidates from the plethora of molecules produced by nature. We also discuss how to address key challenges in realizing the potential of these synergies, such as the need for high-quality datasets to train deep learning algorithms and appropriate strategies for algorithm validation.", "doi": "10.1038/s41573-023-00774-7", "pmid": "37697042", "labels": {"Laura Carroll": null, "DDLS Fellow": null}, "xrefs": [{"db": "pii", "key": "10.1038/s41573-023-00774-7"}], "notes": [], "created": "2025-03-18T17:31:25.070Z", "modified": "2025-03-18T17:31:26.821Z"}]}