[1] 张志强, 范少萍. 论学科信息学的兴起与发展[J]. 情报学报, 2015, 34(10):1011-1023. (ZHANG Z Q, FAN S P. On the emergence and development of subject informatics[J]. Journal of the China Society for Scientific and Technical Information, 2015, 34(10):1011-1023.)
[2] 代涛. 医学信息学的发展与思考[J]. 医学信息学杂志, 2011, 32(6):2-16. (DAI T. Development of medical informatics and thinking[J]. Journal of medical informatics, 2011, 32(6):2-16.)
[3] 陈泓, 曹庆文, 李梦龙. 化学信息学发展现状[J]. 化学研究与应用, 2004, 16(4):453-455. (CHEN H, CAO Q W, LI M L. The development of chemoinformatics[J]. Chemical research and application, 2004, 16(4):453-455.)
[4] HOLZINGER A. From machine learning to explainable AI[C]//2018 world symposium on digital intelligence for systems and machines. Košice:IEEE, 2018:55-66.
[5] GHIRINGHELLI L M, VYBIRAL J, LEVCHENKO S V, et al. Big data of materials science:critical role of the descriptor[J]. Physical review letters, 2015, 114(10):1-5.
[6] ELTON D C, BOUKOUVALAS Z, BUTRICO M S, et al. Applying machine learning techniques to predict the properties of energetic materials[J]. Scientific reports, 2018, 8(1):1-12.
[7] ZHOU T, SONG Z, SUNDMACHER K. Big data creates new opportunities for materials research:a review on methods and applications of machine learning for materials design[J]. Engineering, 2019, 5(6):1017-1026.
[8] OLIYNYK A O, ANTONO E, SPARKS T D, et al. Highthroughput machine-learning-driven synthesis of full-heusler compounds[J]. Chemistry of materials, 2016, 28(20):7324-7331.
[9] SAFAVIAN S R, LANDGREBE D. A survey of decision tree classifier methodology[J]. IEEE transactions on systems, man, and cybernetics, 1991, 21(3):660-674.
[10] SVETNIK V, LIAW A, TONG C, et al. Random forest:a classification and regression tool for compound classification and QSAR modeling[J]. Journal of chemical information and computer sciences, 2003, 43(6):1947-1958.
[11] RISH I. An empirical study of the naive bayes classifier[C]//IJCAI 2001 workshop on empirical methods in artificial intelligence. New York:IBM, 2001, 3(22):41-46.
[12] WILLIAMS C K I, RASMUSSEN C E. Advances in neural information processing systems[M]. Cambridge:A Bradford Book, 1996.
[13] ABRAHAM A. Handbook of measuring system design[M]. Hoboken:John Wiley & Sons, 2005.
[14] CORTES C, VAPNIK V. Support-vector networks[J]. Machine learning, 1995, 20(3):273-297.
[15] KANUNGO T, MOUNT D M, NETANYAHU N S, et al. An efficient k-means clustering algorithm:analysis and implementation[J]. IEEE transactions on pattern analysis and machine intelligence, 2002, 24(7):881-892.
[16] XU R, WUNSCH D. Survey of clustering algorithms[J]. IEEE transactions on neural networks, 2005, 16(3):645-678.
[17] ESTER M, KRIEGEL H P, SANDER J, et al. A density-based algorithm for discovering clusters in large spatial databases with noise[C]//Proceedings of the second international conference on knowledge discovery and data mining. California:AAAI Press, 1996, 96(34):226-231.
[18] 曹玲静, 张志强. 政策信息学的发展与前瞻[J]. 图书情报工作, 2021, 65(21):38-50. (CAO L J, ZHANG Z Q. Development and prospects of policy informatics[J]. Library and information service, 2021, 65(21):38-50.)
[19] 门伟莉, 张志强. 机构属性的诺贝尔科学奖分布规律研究[J]. 情报 学报, 2019, 38(9):907-920. (MEN W L, ZHANG Z Q. Research on the Nobel prize in science based on institutional attributes[J]. Journal of the China Society for Scientific and Technical Information, 2019, 38(9):907-920.)
[20] 任晓亚, 张志强, 陈云伟. 杰出科学家的科研产出规律——以拉斯克医学研究奖得主为例[J]. 情报学报, 2019, 38(9):894-906. (REN X Y, ZHANG Z Q, CHEN Y W. Law governing outstanding scientists research output:the example of lasker award winners[J]. Journal of the China Society for Scientific and Technical Information, 2019, 38(9):894-906.)
[21] 武瑞敏, 张志强. 网络信息学及其知识发现前沿与前瞻[J]. 图书与情报, 2023(1):77-89. (WU R M, ZHANG Z Q. Cyberinformatics and its research advances in knowledge discovery[J]. Library & information, 2023(1):77-89.)
[22] 陈秀娟, 张志强. 论传播信息学及其进展[J]. 图书情报工作, 2022, 66(21):120-131. (CHEN X J, ZHANG Z Q. Research on communication informatics and its progress[J]. Library and information service, 2022, 66(21):120-131.)
[23] 冯志刚, 张志强, 刘昊. 国际技术贸易格局演化规律研究——基于知识产权使用费数据分析视角[J]. 情报学报, 2022, 41(1):38-49. (FENG Z G, ZHANG Z Q, LIU H. The evolution law of international technology trade pattern:the perspective of data analysis of charges for the use of intellectual property[J]. Journal of the China Society for Scientific and Technical Information, 2022, 41(1):38-49.)
[24] Galaxy[EB/OL].[2023-07-28]. https://usegalaxy.org/.
[25] Ingenuity pathways analysis[EB/OL].[2023-07-28]. https://www.nihlibrary.nih.gov/resources/tools/ingenuity-pathwaysanalysis-ipa.
[26] Enamine[EB/OL].[2023-07-28]. https://enamine.net/.
[27] DisGeNET[EB/OL].[2023-07-28]. https://www.disgenet.org/.
[28] JMP[EB/OL].[2023-07-28]. https://www.jmp.com/en_in/industries/data-analysis-software-for-the-chemical-industry.html.
[29] Alteryx[EB/OL].[2023-07-28]. https://www.alteryx.com/ja/customer-center?filters=&page=1.
[30] ACD/Spectrus[EB/OL].[2023-07-28]. https://www.acdlabs.com/products/enterprise/.
[31] MatCloud[EB/OL].[2023-07-28]. http://matcloud.cnic.cn/help/demo/newsShow.
[32] Integrated computational materials engineering[EB/OL].[2023-07- 28]. https://materials.imdea.org/research/research-programmes/integrated-computational-materials-engineering%E2%80%8B/.
[33] Composelector[EB/OL].[2023-07-28]. https://www.esteco.com/corporate/composelector-multi-scale-composite-materialselection-platform-seamless-integration-mater.
[34] Silicon interconnect fabric[EB/OL].[2023-07-28]. https://chips.ucla.edu/research/project/4.
[35] 国家天文科学数据中心[EB/OL].[2023-07-28]. https://nadc.china-vo.org/.
[36] VizieR[EB/OL].[2023-07-28]. https://vizier.cds.unistra.fr/index.gml.
[37] VOStat[EB/OL].[2023-07-28]. http://astrostatistics.psu.edu:8080/vostat/faq.html#details.
[38] Google earth engine[EB/OL].[2023-07-28]. https://earthengine.google.com/.
[39] ArcGIS[EB/OL].[2023-07-28]. https://www.esri.com/en-us/arcgis/about-arcgis/overview.
[40] CHOI E, BAHADORI M T, SCHUETZ A, et al. Doctor ai:predicting clinical events via recurrent neural networks[C]//2016 machine learning and healthcare conference. Los Angeles:Saban Research Institute, 2016:301-318.
[41] GOULD M K, HUANG B Z, TAMMEMAGI M C, et al. Machine learning for early lung cancer identification using routine clinical and laboratory data[J]. American journal of respiratory and critical care medicine, 2021, 204(4):445-453.
[42] MCCARTHY M, BIRNEY E. Personalized profiles for disease risk must capture all facets of health[J]. Nature, 2021, 597(7875):175-177.
[43] FRAZER J, NOTIN P, DIAS M, et al. Disease variant prediction with deep generative models of evolutionary data[J]. Nature, 2021, 599(7883):91-95.
[44] CHEN G, TSOI A, XU H, et al. Predict effective drug combination by deep belief network and ontology fingerprints[J]. Journal of biomedical informatics, 2018, 85:149-154.
[45] DANNENFELSER R, ALLEN G M, VANDERSLUIS B, et al. Discriminatory power of combinatorial antigen recognition in cancer T cell therapies[J]. Cell systems, 2020, 11(3):215-228.
[46] TKATCHENKO A. Machine learning for chemical discovery[J]. Nature communications, 2020, 11(4125):1-4.
[47] SHIELDS B J, STEVENS J, LI J, et al. Bayesian reaction optimization as a tool for chemical synthesis[J]. Nature, 2021, 590(7844):89-96.
[48] WU Y, WANG G. Machine learning based toxicity prediction:from chemical structural description to transcriptome analysis[J]. International journal of molecular sciences, 2018, 19(8):1-20.
[49] ZHANG Y, XU X. Machine learning glass transition temperature of polyacrylamides using quantum chemical descriptors[J]. Polymer chemistry, 2021, 12(6):843-851.
[50] JANET J P, CHAN L, KULIK H J. Accelerating chemical discovery with machine learning:simulated evolution of spin crossover complexes with an artificial neural network[J]. The journal of physical chemistry letters, 2018, 9(5):1064-1071.
[51] LEBÈGUE S, BJÖRKMAN T, KLINTENBERG M, et al. Two-dimensional materials from data filtering and ab initio calculations[J]. Physical review x, 2013, 3(3):1-7.
[52] TRAN K, ULISSI Z W. Active learning across intermetallics to guide discovery of electrocatalysts for CO2 reduction and H2 evolution[J]. Nature catalysis, 2018, 1(9):696-703.
[53] LI J, BAO L, JIANG S, et al. Inverse design of multifunctional plasmonic metamaterial absorbers for infrared polarimetric imaging[J]. Optics express, 2019, 27(6):8375-8386.
[54] TADAKI K, IYE M, FUKUMOTO H, et al. Spin parity of spiral galaxies II:a catalogue of 80 k spiral galaxies using big data from the Subaru Hyper Suprime-Cam survey and deep learning[J]. Monthly notices of the royal astronomical society, 2020, 496(4):4276-4286.
[55] CLARKE A O, SCAIFE A M M, GREENHALGH R, et al. Identifying galaxies, quasars, and stars with machine learning:a new catalogue of classifications for 111 million SDSS sources without spectra[J]. Astronomy & astrophysics, 2020, 639:1-29.
[56] SHALLUE C J, VANDERBURG A. Identifying exoplanets with deep learning:a five-planet resonant chain around kepler-80 and an eighth planet around kepler-90[J]. The astronomical journal, 2018, 155(2):1-21.
[57] DE BEURS Z L, VANDERBURG A, SHALLUE C J, et al. Identifying exoplanets with deep learning. IV. removing stellar activity signals from radial velocity measurements using neural networks[J]. The astronomical journal, 2022, 164(2):1-21.
[58] CHATTERJEE C, WEN L, VINSEN K, et al. Using deep learning to localize gravitational wave sources[J]. Physical review d, 2019, 100(10):1-22.
[59] CHAN M L, HENG I S, MESSEBGER C. Detection and classification of supernova gravitational wave signals:a deep learning approach[J]. Physical review d, 2020, 102(4):1-14.
[60] REZA M N, NA I S, BAEK S W, et al. Rice yield estimation based on K-means clustering with graph-cut segmentation using low-altitude UAV images[J]. Biosystems engineering, 2019, 177:109-121.
[61] FILIPPI P, JONES E J, WIMALATHUNGE N S, et al. An approach to forecast grain crop yield using multi-layered, multifarm data sets and machine learning[J]. Precision agriculture, 2019, 20(5):1015-1029.
[62] GUERINI F M, KUPLICH T M, QUADROS F L F D. Estimating natural grassland biomass by vegetation indices using Sentinel 2 remote sensing data[J]. International journal of remote sensing, 2020, 41(8):2861-2876.
[63] WU C, CHEN Y, PENG C, et al. Modeling and estimating aboveground biomass of Dacrydium pierrei in China using machine learning with climate change[J]. Journal of environmental management, 2019, 234:167-179.
[64] DAVENPORT F V, DIFFENBAUGH N S. Using machine learning to analyze physical causes of climate change:a case study of US Midwest extreme precipitation[J]. Geophysical research letters, 2021, 48(15):e2021GL093787.
[65] MANSFIELD L A, NOWACK P J, KASOAR M, et al. Predicting global patterns of long-term climate change from short-term simulations using machine learning[J]. Climate and atmospheric science, 2020, 3(1):1-9.
[66] LOU G, XIE H, XIA B, et al. Nanomaterials assisted laser desorption ionization for differential diagnosis of ovarian cancer and benign ovarian tumors[J]. Gynecologic oncology, 2020, 159(S1):134-135.
[67] YAN X, SEDYKH A, WANG W, et al. Construction of a webbased nanomaterial database by big data curation and modeling friendly nanostructure annotations[J]. Nature communications, 2020, 11(1):1-10.
[68] CHOI H S, LI S, PARK I H, et al. Tailoring the coercive field in ferroelectric metal-free perovskites by hydrogen bonding[J]. Nature communications, 2022, 13(1):1-7.
[69] ROSEN A S, IYER S M, RAY D, et al. Machine learning the quantum-chemical properties of metal-organic frameworks for accelerated materials discovery[J]. Matter, 2021, 4(5):1578- 1597.
[70] FAN J, SHEN S, ERWIN D H, et al. A high-resolution summary of cambrian to early triassic marine invertebrate biodiversity[J]. Science, 2020, 367(6475):272-277.
[71] ROSSO I, MAZLOFF M R, TALLEY L D, et al. Water mass and biogeochemical variability in the Kerguelen sector of the Southern Ocean:A machine learning approach for a mixing hot spot[J]. Journal of geophysical research:oceans, 2020, 125(3):e2019JC015877.
[72] GREAVES J S, RICHARDS A M S, BAINS W, et al. Phosphine gas in the cloud decks of Venus[J]. Nature astronomy, 2021, 5(7):655-664.
[73] SEAGER S, PETKOWSKI J J, GAO P, et al. The Venusian lower atmosphere haze as a depot for desiccated microbial life:a proposed life cycle for persistence of the venusian aerial biosphere[J]. Astrobiology, 2021, 21(10):1206-1223.
[74] HALLSWORTH J E, KOOP T, DALLAS T D, et al. Water activity in Venus's uninhabitable clouds and other planetary atmospheres[J]. Nature astronomy, 2021, 5(7):665-675.