AI in science
Which located texts state, contest or bear on what AI does, or will do, in a science? In biology, from 1987 to 2026: whether predicted protein structures help to design drugs, whether AI models can simulate cells, whether drug candidates found with AI have entered clinical trials and pass them more often, whether machine learning makes new proteins designable, and whether biology is information that AI can read or program. For each proposition, which text is the earliest located?
Each row is one text’s stance on one proposition, as a stored record states it: articulates, contests or bears on. A stance belongs to the text, not to its author. Rows are in date order, which records no influence between texts. Authors appear as the texts’ own bylines print them, pseudonyms included. “Earliest located” marks only a text the collection’s records name as the earliest the searches found.
biology · Biology
P1 Predicted protein structures aid drug design
- Articulates · Earliest locatedT. L. Blundell; B. L. Sibanda; M. J. E. Sternberg; J. M. ThorntonKnowledge-based prediction of protein structures and the design of novel molecules1987-03-26 · publishedInspect the record ↗
- Bears onSternberg MJ; Lewis RA; King RD; Muggleton SModelling the structure and function of enzymes by machine learning1992 · publishedInspect the record ↗
- ArticulatesByline not recordedAlphaFold — CASP14 research account (2020)2020-11-30 · publishedInspect the record ↗
- Bears onAsher MullardWhat does AlphaFold mean for drug discovery?2021-09-14 · publishedInspect the record ↗
- Bears onWong F; Krishnan A; Zheng EJ; Stärk H; Manson AL; Earl AM; Jaakkola T; Collins JJBenchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery2022-09-06 · publishedInspect the record ↗
- Bears onCarrie ArnoldAlphaFold touted as next big thing for drug discovery — but is it?2023-09-22 · publishedInspect the record ↗
- Bears onThomas C. Terwilliger; Dorothee Liebschner; Tristan I. CrollAlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination2023-11-30 · publishedInspect the record ↗
- Articulates · Earliest located use of the name “structure-based drug design”Lyu J; Kapolka N; Gumpper R; Shoichet BK; Roth BLAlphaFold2 structures guide prospective ligand discovery2024-05-16 · publishedInspect the record ↗
P2 AI models can simulate or predict the behaviour of cells (a "virtual cell")
- Articulates · Earliest locatedD. BrayIntracellular signalling as a parallel distributed process1990-03-22 · publishedInspect the record ↗
- Bears on · Earliest located use of the name “virtual cell”Tomita MWhole-cell simulation: a grand challenge of the 21st century2001-06 · publishedInspect the record ↗
- ArticulatesJianzhu Ma; Michael Ku Yu; Samson Fong; Keiichiro Ono; Eric Sage; Barry Demchak; Roded Sharan; Trey IdekerUsing deep learning to model the hierarchical structure and function of a cell2018-03-05 · publishedInspect the record ↗
- ArticulatesCharlotte Bunne; Yusuf Roohani; Yanay Rosen; Stephen R. QuakeHow to Build the Virtual Cell with Artificial Intelligence: Priorities and Opportunities2024-09-18 · publishedInspect the record ↗
- ArticulatesRoohani YH; Hua TJ; Tung PY; Hsu PD; Goodarzi H; Burke DPVirtual Cell Challenge: Toward a Turing test for the virtual cell2025-06 · publishedInspect the record ↗
- ContestsConstantin Ahlmann-Eltze; Wolfgang Huber; Simon AndersDeep-learning-based gene perturbation effect prediction does not yet outperform simple linear baselines2025-08-04 · publishedInspect the record ↗
P3 A drug candidate discovered or designed with AI has entered human clinical trials
- Articulates · Earliest locatedBergBerg Launches First-Ever Stratified Medicine Clinical Trial To Investigate Cancer Metabolism Of Solid Tumors2013-11-21 · announcedInspect the record ↗
- ArticulatesSumitomo Pharma (then Sumitomo Dainippon Pharma)Sumitomo Dainippon Pharma and Exscientia Joint Development New Drug Candidate Created Using Artificial Intelligence (AI) Begins Clinical Study2020-01-30 · announcedInspect the record ↗
- ArticulatesExscientia plc (filed with the US SEC)Exscientia plc IPO prospectus (424B4)2021-09-30 · publishedInspect the record ↗
- Bears onKp Jayatunga M; Ayers M; Bruens L; Jayanth D; Meier CHow successful are AI-discovered drugs in clinical trials? A first analysis and emerging lessons2024-04-30 · publishedInspect the record ↗
- ArticulatesZuojun Xu; Feng Ren; Ping Wang; Alex ZhavoronkovA generative AI-discovered TNIK inhibitor for idiopathic pulmonary fibrosis: a randomized phase 2a trial2025-06-03 · publishedInspect the record ↗
- ArticulatesInSilico Medicine Cayman TopCo, published on HKEXnewsInsilico Medicine: Initiation of Rentosertib Phase III Clinical Trial2026-07-08 · announcedInspect the record ↗
P6 AI-discovered drug candidates succeed in clinical trials more often than historical averages
- Articulates · Earliest locatedKp Jayatunga M; Ayers M; Bruens L; Jayanth D; Meier CHow successful are AI-discovered drugs in clinical trials? A first analysis and emerging lessons2024-04-30 · publishedInspect the record ↗
- Bears onZuojun Xu; Feng Ren; Ping Wang; Alex ZhavoronkovA generative AI-discovered TNIK inhibitor for idiopathic pulmonary fibrosis: a randomized phase 2a trial2025-06-03 · publishedInspect the record ↗
P4 Machine-learning methods make proteins with new functions designable
- Bears onPo-Ssu Huang; Scott E. Boyken; David BakerThe coming of age of de novo protein design2016-09-14 · publishedInspect the record ↗
- Bears onJingxue Wang; Huali Cao; John Z. H. Zhang; Yifei QiComputational Protein Design with Deep Learning Neural Networks2018-04-20 · publishedInspect the record ↗
- ArticulatesAnishchenko I; Chidyausiku TM; Ovchinnikov S; Pellock SJ; Baker DDe novo protein design by deep network hallucination2020-07-23 · publishedInspect the record ↗
- ArticulatesJoseph L. Watson; David Juergens; Nathaniel R. Bennett; Brian L. Trippe; Jason Yim; Helen E. Eisenach; Woody Ahern; Andrew J. Borst; Robert J. Ragotte; Lukas F. Milles; Basile I. M. Wicky; Nikita Hanikel; Samuel J. Pellock; Alexis Courbet; William Sheffler; Jue Wang; Preetham Venkatesh; Isaac Sappington; Susana Vázquez Torres; Anna Lauko; Valentin De Bortoli; Emile Mathieu; Sergey Ovchinnikov; Regina Barzilay; Tommi S. Jaakkola; Frank DiMaio; Minkyung Baek; David BakerDe novo design of protein structure and function with RFdiffusion2023-07-11 · publishedInspect the record ↗
- ArticulatesEvolutionaryScaleESM3: Simulating 500 million years of evolution with a language model2024-06-25 · announcedInspect the record ↗
P5 Biology is an information system that AI can read, describe or program
- Bears onLeroy Hood; David GalasThe digital code of DNA2003-01-23 · publishedInspect the record ↗
- ArticulatesIsomorphic LabsIntroducing Isomorphic Labs2021-11 · published · wording attested 2026-10-30Inspect the record ↗
- ArticulatesEvolutionaryScaleESM3: Simulating 500 million years of evolution with a language model2024-06-25 · announcedInspect the record ↗