{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T09:31:20Z","timestamp":1787045480371,"version":"build-2736575974"},"reference-count":10,"publisher":"American Chemical Society (ACS)","issue":"6","license":[{"start":{"date-parts":[[2020,5,29]],"date-time":"2020-05-29T00:00:00Z","timestamp":1590710400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,5,29]],"date-time":"2020-05-29T00:00:00Z","timestamp":1590710400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,5,29]],"date-time":"2020-05-29T00:00:00Z","timestamp":1590710400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,6,22]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The field of artificial intelligence (AI) for generative chemistry is reaching the maturity stage, shifting the focus from the novelty of the algorithms to the quality of the generated molecules. To ensure continued evolution of AI technologies, we propose a series of challenges of increasing complexity by comparing and combining the machine and human intelligence in medicinal chemistry.<\/jats:p>","DOI":"10.1021\/acs.jcim.0c00435","type":"journal-article","created":{"date-parts":[[2020,5,29]],"date-time":"2020-05-29T13:48:40Z","timestamp":1590760120000},"page":"2657-2659","source":"Crossref","is-referenced-by-count":11,"title":["Medicinal Chemists versus Machines Challenge: What\nWill It Take to Adopt and Advance Artificial Intelligence for Drug\nDiscovery?"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7067-8966","authenticated-orcid":true,"given":"Alex","family":"Zhavoronkov","sequence":"first","affiliation":[{"name":"Insilico Medicine , 307A, E1, Hong Kong Science and Technology Park , ,","place":["Hong Kong, People\u2019s Republic of China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,5,29]]},"reference":[{"key":"2026081804424207100_cit1","doi-asserted-by":"publisher","first-page":"191","DOI":"10.1038\/nrd3681","article-title":"Diagnosing\nthe Decline in Pharmaceutical R&D Efficiency","volume":"11","author":"Scannell","year":"2012","journal-title":"Nat. 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Sci."},{"key":"2026081804424207100_cit5","doi-asserted-by":"publisher","first-page":"4398","DOI":"10.1021\/acs.molpharmaceut.8b00839","article-title":"Entangled Conditional\nAdversarial Autoencoder for De Novo Drug Discovery","volume":"15","author":"Polykovskiy","year":"2018","journal-title":"Mol. Pharmaceutics"},{"key":"2026081804424207100_cit6","doi-asserted-by":"publisher","first-page":"1038","DOI":"10.1038\/s41587-019-0224-x","article-title":"Deep Learning Enables Rapid Identification of Potent\nDDR1 Kinase Inhibitors","volume":"37","author":"Zhavoronkov","year":"2019","journal-title":"Nat. Biotechnol."},{"key":"2026081804424207100_cit7","doi-asserted-by":"publisher","first-page":"143","DOI":"10.1038\/s41587-020-0418-2","article-title":"Assessing the Impact\nof Generative AI on Medicinal\nChemistry","volume":"38","author":"Walters","year":"2020","journal-title":"Nat. Biotechnol."},{"key":"2026081804424207100_cit8","doi-asserted-by":"publisher","DOI":"10.26434\/chemrxiv.11829102.v2","article-title":"Potential\nCOVID-2019\n3C-Like Protease Inhibitors Designed Using Generative Deep Learning\nApproaches","author":"Zhavoronkov","year":"2020","journal-title":"ChemRxiv."},{"key":"2026081804424207100_cit9","unstructured":"Lowe, D.\n          \n          Reading the Minds\nof Medicinal Chemists. Science Translational\nMedicine; AAAS, 2017"},{"key":"2026081804424207100_cit10","doi-asserted-by":"publisher","first-page":"203","DOI":"10.1038\/nrd3078","article-title":"How to\nImprove R&D\nProductivity: the Pharmaceutical Industry\u2019s Grand Challenge","volume":"9","author":"Paul","year":"2010","journal-title":"Nat. Rev. Drug Discovery"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c00435","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/60\/6\/2657\/8897544\/ci0c00435.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/60\/6\/2657\/8897544\/ci0c00435.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T09:01:15Z","timestamp":1787043675000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article\/60\/6\/2657\/849654\/Medicinal-Chemists-versus-Machines-Challenge-What"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,5,29]]},"references-count":10,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2020,5,29]]},"published-print":{"date-parts":[[2020,6,22]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c00435","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,5,29]]}}}