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2023, 01, v.53 1-16
AI+化学:从自动化迈向智能化探索
基金项目(Foundation): 国家杰出青年基金(22025107); 西安市功能超分子结构与材料重点实验室重点项目
邮箱(Email):
DOI: 10.16152/j.cnki.xdxbzr.2023-01-001
发布时间: 2023-01-11
出版时间: 2023-01-11
网络发布时间: 2023-01-11
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摘要:

当前,多学科交叉范式的逐渐深入发展对传统化学合成提出了更精确、更高效的新要求。近年来,随着以机器学习为代表的人工智能技术快速发展,“AI+化学”模式使自动化合成逐渐迈向智能化。人工智能通过挖掘海量化学实验数据,不但可以帮助研究者做出合理分析预测,而且可以将研究者从繁琐复杂的日常实验中解放出来,大大加速相关研发过程。梳理了化学研究领域由自动化合成迈向智能化的发展历程,介绍了实验室自动化平台的发展历程,随后系统讨论了实验室自动化平台构建范式,强调自动化合成技术与人工智能结合以期实现化学合成的智能化闭环策略,最后展望了该领域的未来发展前景。

Abstract:

At present, the gradual and in-depth development of multidisciplinary paradigm has put forward new requirements to traditional chemical synthesis. Recently, with the rapid development of artificial intelligence technology represented by machine learning, the "AI+Chem" model has gradually made automatic synthesis intelligent. By mining massive chemical experiment data, AI can not only help researchers make reasonable analysis and prediction, but also liberate researchers from tedious and complex daily experiments, which can greatly accelerate the related research and development process. This review combs the recent development of chemical research field from automatic synthesis to intelligence. We started with the description of the development of laboratory automation platform. Then, we systematically summarized recent progress on the construction paradigm of laboratory automation platform, emphasized the combination of automatic synthesis technology and artificial intelligence to achieve intelligent closed-loop strategy of chemical synthesis. Finally, we discussed the future development prospects of this field.

参考文献

[1] NANTERMET P G.Reaction:The art of synthetic chemistry [J].Chem,2016,1(3):335-336.

[2] NICOLAOU K C,CHEN J S.The art of total synthesis through cascade reactions [J].Chem Soc Rev,2009,38(11):2993-3009.

[3] GRAULICH N,HOPF H,SCHREINER P R.Heuristic thinking makes a chemist smart [J].Chem Soc Rev,2010,39(5):1503-1512.

[4] LEY S V,FITZPATRICK D E,INGHAM R J,et al.Organic synthesis:March of the machines [J].Angew Chem Int Ed,2015,54(11):3449-3464.

[5] BARAN P S.Natural product total synthesis:As exciting as ever and here to stay [J].J Am Chem Soc,2018,140(14):4751-4755.

[6] COLLINS K D,GENSCH T,GLORIUS F.Contemporary screening approaches to reaction discovery and development [J].Nat Chem,2014,6(10):859-871.

[7] BERGMAN R G,DANHEISER R L.Reproducibility in chemical research [J].Angew Chem Int Ed,2016,55(41):12548-12549.

[8] DUROS V,GRIZOU J,XUAN W,et al.Human versus robots in the discovery and crystallization of gigantic polyoxometalates [J].Angew Chem Int Ed,2017,56(36):10815-10820.

[9] ROCH L M,HASE F,KREISBECK C,et al.ChemOS:Orchestrating autonomous experimentation [J].Sci Robot,2018,3(19):eaat5559.

[10] SCHNEIDER G.Mind and machine in drug design [J].Nat Mach Intell,2019,1(3):128-130.

[11] WANG Y,SHAABANI S,AHMADIANMOGHADDAM M,et al.Acoustic droplet ejection enabled automated reaction scouting [J].ACS Cent Sci,2019,5(3):451-457.

[12] FITZPATRICK D E,BATTILOCCHIO C,LEY S V,et al.Enabling technologies for the future of chemical synthesis [J].ACS Cent Sci,2016,2(3):131-138.

[13] LEY S V,FITZPATRICK D E,MYERS R M,et al.Machine-assisted organic synthesis [J].Angew Chem Int Ed,2015,54(35):10122-10136.

[14] KOBAYASHI J,MORI Y,KOBAYASHI S.Multiphase organic synthesis in microchannel reactors[J].Chem Asian J,2006,1(1/2):22-35.

[15] CHAPMAN T.Lab automation and robotics:Automation on the move [J].Nature,2003,421(6923):661-663.

[16] MERRIFIELD R B.Solid phase synthesis (Nobel Lecture) [J].Angew Chem Int Ed,1985,24(10):799-810.

[17] MERRIFIELD R B.Solid phase peptide synthesis.I.the synthesis of a tetrapeptide [J].J Am Chem Soc,1963,85(14):2149-2154.

[18] MERRIFIELD R B,STEWART J M,JERNBERG N.Instrument for automated synthesis of peptides[J].Anal Chem,1966,38(13):1905-1914.

[19] MULLIN R.As high-throughput screening draws fire,researchers leverage science to put automation into perspective [J].Chem Eng News,2004,82(30):23-32.

[20] PAUL S M,MYTELKA D S,DUNWIDDIE C T,et al.How to improve R&D productivity:The pharmaceutical industry’s grand challenge [J].Nat Rev Drug Disc,2010,9(3):203-214.

[21] MERRIFIELD R B.Automated synthesis of peptides [J].Science,1965,150(3693):178-185.

[22] MIJALIS A J,THOMAS D A,SIMON M D,et al.A fully automated flow-based approach for accelerated peptide synthesis [J].Nat Chem Biol,2017,13:464-466.

[23] CARUTHERS M H.Gene synthesis machines:DNA chemistry and its uses [J].Science,1985,230(4723):281-285.

[24] PLANTE O J,PALMACCI E R,SEEBERGER P H.Automated solid-phase synthesis of oligosaccharides [J].Science,2001,291(5508):1523-1527.

[25] JOSEPH A A,PARDO-VARGAS A,SEEBERGER P H.Total synthesis of polysaccharides by automated glycan assembly [J].J Am Chem Soc,2020,142(19):8561-8564.

[26] KENT S B H.Novel protein science enabled by total chemical synthesis [J].Protein Sci,2019,28(2):313-328.

[27] MELNYK O,VICOGNE J.Total chemical synthesis of SUMO proteins [J].Tetrahedron Lett,2016,57(39):4319-4324.

[28] FERRETTI L,KARNIK S S,KHORANA H G,et al.Total synthesis of a gene for bovine rhodopsin [J].Proc Natl Acad Sci U S A,1986,83(3):599-603.

[29] KHORANA H G.Total synthesis of a gene [J].Science,1979,203(4381):614-625.

[30] GIBSON D G,GLASS J I,LARTIGUE C,et al.Creation of a bacterial cell controlled by a chemically synthesized genome [J].Science,2010,329(5987):52-56.

[31] FOSGERAU K,HOFFMANN T.Peptide therapeutics:Current status and future directions [J].Drug Discov Today,2015,20(1):122-128.

[32] KHVOROVA A,WATTS J K.The chemical evolution of oligonucleotide therapies of clinical utility [J].Nat Biotechnol,2017,35(3):238-248.

[33] SEEBERGER P H,WERZ D B.Automated synthesis of oligosaccharides as a basis for drug discovery [J].Nat Rev Drug Disc,2005,4(9):751-763.

[34] PARKER T D,WRIGHT D S,ROSSI D T.Design and evaluation of an automated solid-phase extraction method development system for use with biological fluids [J].Anal Chem,1996,68(14):2437-2441.

[35] GIOIELLO A,PICCINNO A,LOZZA A M,et al.The medicinal chemistry in the era of machines and automation:Recent advances in continuous flow technology[J].J Med Chem,2020,63(13):6624-6647.

[36] NADIN A,HATTOTUWAGAMA C,CHURCHER I.Lead-oriented synthesis:A new opportunity for synthetic chemistry [J].Angew Chem Int Ed,2012,51(5):1114-1122.

[37] ALLEN C L,LEITCH D C,ANSON M S,et al.The power and accessibility of high-throughput methods for catalysis research[J].Nat Catal,2019,2 (1):2-4.

[38] DIAGNE A B,LI S,PERKOWSKI G A,et al.Samdi mass spectrometry-enabled high-throughput optimization of a traceless petasis reaction [J].ACS Comb Sci,2015,17(11):658-662.

[39] MONFETTE S,BLACQUIERE J M,FOGG D E.The future,faster:Roles for high-throughput experimentation in accelerating discovery in organometallic chemistry and catalysis [J].Organometallics,2011,30(1):36-42.

[40] MCNALLY A,PRIER C K,MACMILLAN D W C,et al.Discovery of an α-amino C-H arylation reaction using the strategy of accelerated serendipity [J].Science,2011,334(6059):1114-1117.

[41] REETZ M T,KüHLING K M,DEEGE A,et al.Super-high-throughput screening of enantioselective catalysts by using capillary array electrophoresis [J].Angew Chem Int Ed,2000,39(21):3891-3893.

[42] REIZMAN B J,JENSEN K F.Simultaneous solvent screening and reaction optimization in microliter slugs [J].Chem Commun,2015,51(68):13290-13293.

[43] ROBBINS D W,HARTWIG J F.A simple multidimensional approach to high-throughput discovery of catalytic reactions [J].Science,2011,333(6048):1423-1427.

[44] TRAPP O,WEBER S K,BAUCH S,et al.High-throughput screening of catalysts by combining reaction and analysis [J].Angew Chem Int Ed,2007,46(38):7307-7310.

[45] SHEVLIN M,FRIEDFELD M R,SHENG H,et al.Nickel-catalyzed asymmetric alkene hydrogenation of α,β-unsaturated esters:High-throughput experimentation-enabled reaction discovery,optimization,and mechanistic elucidation [J].J Am Chem Soc,2016,138(10):3562-3569.

[46] BELLOMO A,CELEBI-OLCUM N,BU X,et al.Rapid catalyst identification for the synthesis of the pyrimidinone core of HIV integrase inhibitors [J].Angew Chem Int Ed,2012,51(28):6912-6915.

[47] MURRAY P M,TYLER S N G,MOSELEY J D.Beyond the numbers:Charting chemical reaction space [J].Org Process Res Dev,2013,17(1):40-46.

[48] DAVIES I W,WELCH C J.Looking forward in pharmaceutical process chemistry [J].Science,2009,325(5941):701-704.

[49] MORISSETTE S L,ALMARSSON O,PETERSON M L,et al.High-throughput crystallization:Polymorphs,salts,co-crystals and solvates of pharmaceutical solids [J].Adv Drug Deliver Rev,2004,56(3):275-300.

[50] LEGRAND M,BOLLA P.A fully automatic apparatus for chemical reactions on the laboratory scale [J].J Autom Chem,1985,7(1):31-37.

[51] SUGAWARA T,KATO S,OKAMOTO S.Development of fully-automated synthesis systems [J].J Autom Chem,1994,16(1):33-42.

[52] OKAMOTO H,DEUCHI K.Design of a robotic workstation for automated organic synthesis [J].Lab Rob Automt,2000,12(1):2-11.

[53] ORITA A,YASUI Y,OTERA J.Automated synthesis:Development of a new apparatus friendly to synthetic chemists (MEDLEY) [J].Org Process Res Dev,2000,4(5):333-336.

[54] ORITA A,YASUI Y,OTERA J.Automated synthesis:Utilization of medley in synthetic processes [J].Org Process Res Dev,2000,4(5):337-341.

[55] MACHIDA K,HIROSE Y,FUSE S,et al.Development and application of a solution-phase automated synthesizer,′ChemKonzert′ [J].Chem Pharm Bull,2010,58(1):87-93.

[56] TANAKA Y,FUSE S,TANAKA H,et al.An efficient synthesis of a cyclic ether key intermediate for 9-membered masked enediyne using an automated synthesizer [J].Org Process Res Dev,2009,13(6):1111-1121.

[57] DOI T,FUSE S,MIYAMOTO S,et al.A formal total synthesis of taxol aided by an automated synthesizer [J].Chem Asian J,2006,1(3):370-383.

[58] MASUI H,NAITO K,MINOSHIMA M,et al.Efficient synthesis of 5-(hydroxymethyl)piperazin-2-ones using automatically prepared chiral bromocarboxylic acid and Garner’s aldehyde as versatile building blocks [J].Bioorg Med Chem Lett,2021,40:127961.

[59] FUSE S,OKADA K,IIJIMA Y,et al.Total synthesis of spiruchostatin B aided by an automated synthesizer [J].Org Biomol Chem,2011,9(10):3825-3833.

[60] MASUI H,YOSUGI S,FUSE S,et al.Solution-phase automated synthesis of an α-amino aldehyde as a versatile intermediate [J].Beilstein J Org Chem,2017,13(1):106-110.

[61] SILVER D,HUANG A,MADDISON C J,et al.Mastering the game of go with deep neural networks and tree search [J].Nature,2016,529(7587):484-489.

[62] SILVER D,SCHRITTWIESER J,SIMONYAN K,et al.Mastering the game of go without human knowledge [J].Nature,2017,550(7676):354-359.

[63] TUNYASUVUNAKOOL K,ADLER J,WU Z,et al.Highly accurate protein structure prediction for the human proteome [J].Nature,2021,596(7873):590-596.

[64] SENIOR A W,EVANS R,JUMPER J,et al.Improved protein structure prediction using potentials from deep learning [J].Nature,2020,577(7792):706-710.

[65] JUMPER J,EVANS R,PRITZEL A,et al.Highly accurate protein structure prediction with AlphaFold [J].Nature,2021,596(7873):583-589.

[66] EISENSTEIN M.Artificial intelligence powers protein-folding predictions [J].Nature,2021,599:706-708.

[67] SCHWALLER P,LAINO T,GAUDIN T,et al.Molecular transformer:A model for uncertainty-calibrated chemical reaction prediction [J].ACS Cent Sci,2019,5(9):1572-1583.

[68] SZYMKUC S,GAJEWSKA E P,KLUCZNIK T,et al.Computer-assisted synthetic planning:The end of the beginning [J].Angew Chem Int Ed,2016,55(20):5904-5937.

[69] GOTHARD C M,SOH S,GOTHARD N A,et al.Rewiring chemistry:Algorithmic discovery and experimental validation of one-pot reactions in the network of organic chemistry [J].Angew Chem Int Ed,2012,51(32):7922-7927.

[70] KOWALIK M,GOTHARD C M,DREWS A M,et al.Parallel optimization of synthetic pathways within the network of organic chemistry [J].Angew Chem Int Ed,2012,51(32):7928-7932.

[71] FULLER P E,GOTHARD C M,GOTHARD N A,et al.Chemical network algorithms for the risk assessment and management of chemical threats [J].Angew Chem Int Ed,2012,51(32):7933-7937.

[72] SEGLER M H S,WALLER M P.Neural-symbolic machine learning for retrosynthesis and reaction prediction [J].Chem Eur J,2017,23(25):5966-5971.

[73] SEGLER M H S,PREUSS M,WALLER M P.Planning chemical syntheses with deep neural networks and symbolic AI [J].Nature,2018,555(7698):604-610.

[74] WILBRAHAM L,MEHR S H M,CRONIN L.Digitizing chemistry using the chemical processing unit:From synthesis to discovery [J].Acc Chem Res,2021,54(2):253-262.

[75] POWER M,ALCOCK E,MCGLACKEN G P.Organolithium bases in flow chemistry:A review [J].Org Process Res Dev,2020,24(10):1814-1838.

[76] GUIDI M,SEEBERGER P H,GILMORE K.How to approach flow chemistry [J].Chem Soc Rev,2020,49(24):8910-8932.

[77] SAGMEISTER P,LEBL R,CASTILLO I,et al.Advanced real-time process analytics for multistep synthesis in continuous flow [J].Angew Chem Int Ed,2021,60(15):8139-8148.

[78] GARCíA-LACUNA J,DOMíNGUEZ G,PéREZ-CATELLS J.Flow chemistry for cycloaddition reactions [J].Chem Sus Chem,2020,13(19):5138-5163.

[79] BECKERS O,SMEETS S,LUTSEN L,et al.Perspective on the application of continuous flow chemistry for polymer-based organic electronics [J].J Mater Chem C,2022,10(5):1606-1616.

[80] BURANGE A S,OSMAN S M,LUQUE R.Understanding flow chemistry for the production of active pharmaceutical ingredients [J].iScience,2022,25(3):103892.

[81] LI C,CALLAHAN A J,SIMON M D,et al.Fully automated fast-flow synthesis of antisense phosphorodiamidate morpholino oligomers [J].Nat Commun,2021,12(1):4396.

[82] HARTRAMPF N,SAEBI A,POSKUS M,et al.Synthesis of proteins by automated flow chemistry [J].Science,2020,368(6494):980-987.

[83] TRUEX N L,HOLDEN R L,WANG B,et al.Automated flow synthesis of tumor neoantigen peptides for personalized immunotherapy [J].Sci Rep,2020,10(1):723.

[84] ZHANG G,LI C,QUARTARARO A J,et al.Automated affinity selection for rapid discovery of peptide binders [J].Chem Sci,2021,12(32):10817-10824.

[85] HARTRAMPF N,SAEBI A,POSKUS M,et al.Synthesis of proteins by automated flow chemistry [J].Science,2020,368(6494):980-987.

[86] JENSEN K F.Radial flow system decouples reactions in automated synthesis of organic molecules [J].Nature,2020,579:346-348.

[87] CHATTERJEE S,GULDL M,SEEBERGER P H,et al.Automated radial synthesis of organic molecules [J].Nature,2020,579(7799):379-384.

[88] LIU C,XIE J,WU W,et al.Automated synthesis of prexasertib and derivatives enabled by continuous-flow solid-phase synthesis [J].Nat Chem,2021,13(5):451-457.

[89] COLLINS N,STOUT D,LIM J P,et al.Fully automated chemical synthesis:Toward the universal synthesizer [J].Org Process Res Dev,2020,24(10):2064-2077.

[90] BEDARD A C,ADAMO A,AROH K C,et al.Reconfigurable system for automated optimization of diverse chemical reactions [J].Science,2018,361(6408):1220-1225.

[91] HARDWICK T,AHMED N.Digitising chemical synthesis in automated and robotic flow [J].Chem Sci,2020,11(44):11973-11988.

[92] GODFREY A G,MICHAEL S G,SITTAMPALAM G S,et al.A perspective on innovating the chemistry lab bench [J].Front Robot AI,2020,7:24.

[93] GRANDA J M,DONINA L,DRAGONE V,et al.Controlling an organic synthesis robot with machine learning to search for new reactivity [J].Nature,2018,559(774):377-381.

[94] STEINER S,WOLF J,GLATZEL S,et al.Organic synthesis in a modular robotic system driven by a chemical programming language [J].Science,2019,363(6423):eaav2211.

[95] ANGELONE D,HAMMER A J S,ROHRBACH S,et al.Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine [J].Nat Chem,2021,13(1):63-69.

[96] CARAMELLI D,GRANDA J M,MEHR S H M,et al.Discovering new chemistry with an autonomous robotic platform driven by a reactivity-seeking neural network [J].ACS Cent Sci,2021,7(11):1821-1830.

[97] ROHRBACH S,SIAUCIULIS M,CHISHOLM G,et al.Digitization and validation of a chemical synthesis literature database in the ChemPU [J].Science,2022,377(6602):172-180.

[98] MANZANO J S,HOU W,ZALESSKIY S S,et al.An autonomous portable platform for universal chemical synthesis [J].Nat Chem,2022,14:1311-1318.

[99] LEHMANN J W,BLAIR D J,BURKE M D.Towards the generalized iterative synthesis of small molecules [J].Nat Rev Chem,2018,2(2):0115.

[100] WOERLY E M,ROY J,BURKE M D.Synthesis of most polyene natural product motifs using just 12 building blocks and one coupling reaction [J].Nat Chem,2014,6(6):484-491.

[101] LI J,BURKE M D.Pinene-derived iminodiacetic acid (PIDA):A powerful ligand for stereoselective synthesis and iterative cross-coupling of C(sp3) boronate building blocks [J].J Am Chem Soc,2011,133(35):13774-13777.

[102] GONZALEZ J A,OGBA O M,MOREHOUSE G F,et al.MIDA boronates are hydrolysed fast and slow by two different mechanisms [J].Nat Chem,2016,8(11):1067-1075.

[103] BALLMER S G,GILLIS E P,BURKE M D,et al.B-protected haloboronic acids for iterative cross-coupling [J].Org Synth,2009,86:344-359.

[104] LEE S J,ANDERSON T M,BURKE M D,et al.A simple and general platform for generating stereochemically complex polyene frameworks by iterative cross-coupling [J].Angew Chem Int Ed,2010,49(47):8860-8863.

[105] LI J,BALLMER S G,GILLIS E P,et al.Synthesis of many different types of organic small molecules using one automated process [J].Science,2015,347(6227):1221-1226.

[106] IMAO D,GLASSPOOLE B W,LABERGE V S,et al.Cross coupling reactions of chiral secondary organoboronic esters with retention of configuration [J].J Am Chem Soc,2009,131(14):5024-5025.

[107] LEHMANN J W,CROUCH I T,BLAIR D J,et al.Axial shielding of Pd(II) complexes enables perfect stereoretention in suzuki-miyaura cross-coupling of Csp3 boronic acids [J].Nat Commun,2019,10(1):1263.

[108] MLYNARSKI S N,SCHUSTER C H,MORKEN J P.Asymmetric synthesis from terminal alkenes by cascades of diboration and cross-coupling [J].Nature,2014,505(7483):386-390.

[109] MA X,MURRAY B,BISCOE M R.Stereoselectivity in Pd-catalysed cross-coupling reactions of enantioenriched nucleophiles [J].Nat Rev Chem,2020,4(11):584-599.

[110] CHERNEY A H,KADUNCE N T,REISMAN S E.Enantioselective and enantiospecific transition-metal-catalyzed cross-coupling reactions of organometallic reagents to construct C-C Bonds [J].Chem Rev,2015,115(17):9587-9652.

[111] LEONORI D,AGGARWAL V K.Lithiation-borylation methodology and its application in synthesis [J].Acc Chem Res,2014,47(10):3174-3183.

[112] SHARMA H A,ESSMAN J Z,JACOBSEN E N.Enantioselective catalytic 1,2-boronate rearrangements [J].Science,2021,374(6568):752-757.

[113] CASONI G,KUCUKDISLI M,FORDHAM J M,et al.α-Sulfinyl benzoates as precursors to Li and Mg carbenoids for the stereoselective iterative homologation of boronic esters [J].J Am Chem Soc,2017,139(34):11877-11886.

[114] BLAIR D J,CHITTI S,TROBE M,et al.Automated iterative Csp3-C bond formation [J].Nature,2022,604(7904):92-97.

[115] KING R D,WHELAN K E,JONES F M,et al.Functional genomic hypothesis generation and experimentation by a robot scientist [J].Nature,2004,427(6971):247-252.

[116] KING R D,ROWLAND J,OLIVER S G,et al.The automation of science [J].Science,2009,324(5923):85-89.

[117] KING R D,ROWLAND J,AUBREY W,et al.The robot scientist adam [J].Computer,2009,42(8):46-54.

[118] WILLIAMS K,BILSLAND E,SPARKES A,et al.Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases [J].J R Soc Interface,2015,12(104):20141289.

[119] COREY E J,ORF H W,PENSAK D A.Computer-assisted synthetic analysis.The identification and protection of interfering functionality in machine-generated synthetic intermediates [J].J Am Chem Soc,1976,98(1):210-221.

[120] LIN Y,ZHANG Z,MAHJOUR B,et al.Reinforcing the supply chain of COVID-19 therapeutics with expert-coded retrosynthetic software [J].ChemRxiv,2020,DOI:10.26434/chemrxiv.12765410.v1.

[121] MOLGA M,SZYMKUC S,GOLEBIOWSKA P,et al.A computer algorithm to discover iterative sequences of organic reactions [J].Nat Synth,2022,1(1):49-58.

[122] MOLGA M,SZYMKUC S,GRZYBOWSKI B A.Chemist ex machina:Advanced synthesis planning by computers [J].Acc Chem Res,2021,54(5):1094-1106.

[123] COLEY C W,THOMAS D A,LUMMISS J A M,et al.A robotic platform for flow synthesis of organic compounds informed by AI planning [J].Science,2019,365(6453):eaax1566.

[124] XU H,LIN J L,LIU Q Y,et al.High-throughput discovery of chemical structure-polarity relationships combining automation and machine-learning techniques [J].Chem,2022,DOI:10.1016/j.chempr,2022.08.008.

[125] GODFREY A G,MASQUELIN T,HEMMERLE H.A remote-controlled adaptive medchem lab:An innovative approach to enable drug discovery in the 21st Century [J].Drug Discov Today,2013,18(17/18):795-802.

[126] FITZPATRICK D E,BATTILOCCHIO C,LEY S V.A novel internet-based reaction monitoring,control and autonomous self-optimization platform for chemical synthesis [J].Org Process Res Dev,2016,20(2):386-394.

[127] BURGER B,MAFFETTONE P M,GUSEV V V,et al.A mobile robotic chemist [J].Nature,2020,583(7815):237-241.

[128] ZHU Q,ZHANG F,HUANG Y,et al.An all-round AI-chemist with scientific mind [J].Natl Sci Rev,2022,DOI:10.1093/nsr/nwac190.

基本信息:

DOI:10.16152/j.cnki.xdxbzr.2023-01-001

中图分类号:O6-05;TP18

引用信息:

[1]韩英锋,鲁欣月,张乐.AI+化学:从自动化迈向智能化探索[J].西北大学学报(自然科学版),2023,53(01):1-16.DOI:10.16152/j.cnki.xdxbzr.2023-01-001.

基金信息:

国家杰出青年基金(22025107); 西安市功能超分子结构与材料重点实验室重点项目

发布时间:

2023-01-11

出版时间:

2023-01-11

网络发布时间:

2023-01-11

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