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Page 1
Discovering structure-property correlations: general discussion.
Anker AS, Aspuru-Guzik A, Ben Mahmoud C, Bennett S, Briling KR, Changiarath A, Chong S, Collins CM, Cooper AI, Crusius D, Darmawan KK, Das B, David N, Day GM, Deringer VL, Duarte F, Eardley-Brunt A, Evans ML, Evans R, Fairlamb I, Franklin BA, Frey J, Ganose AM, Goulding M, Hafizi R, Hakkennes M, Hickey N, James G, Jelfs KE, Kalikadien AV, Kapil V, Koczor-Benda Z, Krammer F, Kulik HJ, Kumar V, Kuttner C, Lam E, Lou Y, Mante E, Martin J, Mroz AM, Nematiaram T, Pare CWP, Patra S, Proudfoot J, Ruscic B, Ryder MR, Sakaushi K, Saßmannshausen J, Savoie BM, Schneider N, Schwaller P, Skjelstad BB, Sun W, Szczypiński FT, Torrisi S, Ueltzen K, Vishnoi S, Walsh A, Wang X, Wilson C, Wu R, Zeitler J. Anker AS, et al. Among authors: szczypinski ft. Faraday Discuss. 2024 Dec 13. doi: 10.1039/d4fd90062f. Online ahead of print. Faraday Discuss. 2024. PMID: 39670482 No abstract available.
Discovering chemical structure: general discussion.
Aspuru-Guzik A, Bechtel T, Bernales V, Biggin PC, Bigi F, Borges I Jr, Briling KR, Cheung J, Collins CM, Darmawan KK, David N, Day GM, Deringer VL, Draxl C, Dyer M, Eardley-Brunt A, Evans R, Fairlamb I, Franklin BA, George J, Goulding M, Grundy J, Hafizi R, Hakkennes M, Hickey N, James G, Juraskova V, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lederbauer M, Lou Y, Mante E, Marsh L, Martin J, Middleton C, Nematiaram T, Pare CWP, Pasca B, Pickard CJ, Ruscic B, Ryder MR, Savoie BM, Sun W, Szczypiński FT, Taniguchi T, Torrisi S, Vishnoi S, Walsh A, Wang S. Aspuru-Guzik A, et al. Among authors: szczypinski ft. Faraday Discuss. 2024 Dec 12. doi: 10.1039/d4fd90061h. Online ahead of print. Faraday Discuss. 2024. PMID: 39665275 No abstract available.
Autonomous mobile robots for exploratory synthetic chemistry.
Dai T, Vijayakrishnan S, Szczypiński FT, Ayme JF, Simaei E, Fellowes T, Clowes R, Kotopanov L, Shields CE, Zhou Z, Ward JW, Cooper AI. Dai T, et al. Among authors: szczypinski ft. Nature. 2024 Nov;635(8040):890-897. doi: 10.1038/s41586-024-08173-7. Epub 2024 Nov 6. Nature. 2024. PMID: 39506122 Free PMC article.
Dynamic and solid-state behaviour of bromoisotrianglimine.
Scholes AM, Kershaw Cook LJ, Szczypiński FT, Luzyanin KV, Egleston BD, Greenaway RL, Slater AG. Scholes AM, et al. Among authors: szczypinski ft. Chem Sci. 2024 Aug 13;15(35):14254-63. doi: 10.1039/d4sc04207g. Online ahead of print. Chem Sci. 2024. PMID: 39149217 Free PMC article.
Explainable graph neural networks for organic cages.
Yuan Q, Szczypiński FT, Jelfs KE. Yuan Q, et al. Among authors: szczypinski ft. Digit Discov. 2022 Feb 11;1(2):127-138. doi: 10.1039/d1dd00039j. eCollection 2022 Apr 11. Digit Discov. 2022. PMID: 35515082 Free PMC article.
Can we predict materials that can be synthesised?
Szczypiński FT, Bennett S, Jelfs KE. Szczypiński FT, et al. Chem Sci. 2020 Dec 9;12(3):830-840. doi: 10.1039/d0sc04321d. Chem Sci. 2020. PMID: 34163850 Free PMC article. Review.
Corrigendum: Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity.
Abet V, Szczypiński FT, Little MA, Santolini V, Jones CD, Evans R, Wilson C, Wu X, Thorne MF, Bennison MJ, Cui P, Cooper AI, Jelfs KE, Slater AG. Abet V, et al. Among authors: szczypinski ft. Angew Chem Int Ed Engl. 2020 Nov 9;59(46):20272. doi: 10.1002/anie.202012719. Angew Chem Int Ed Engl. 2020. PMID: 33460274 Free PMC article. No abstract available.
15 results