作者：
Antreas,Afantitis [1]
;
Georgia,Melagraki [1]
;
Panagiotis,Isigonis [1]
;
Andreas,Tsoumanis [1]
;
Dimitra Danai,Varsou [1]
;
Eugenia,Valsami-Jones [2]
;
Anastasios,Papadiamantis [2]
;
Laura-Jayne A,Ellis [2]
;
Haralambos,Sarimveis [3]
;
Philip,Doganis [3]
;
Pantelis,Karatzas [3]
;
Periklis,Tsiros [3]
;
Irene,Liampa [3]
;
Vladimir,Lobaskin [4]
;
Dario,Greco [5]
;
Angela,Serra [5]
;
Pia Anneli Sofia,Kinaret [5]
;
Laura Aliisa,Saarimäki [5]
;
Roland,Grafström [6]
;
Pekka,Kohonen [7]
;
Penny,Nymark [6]
;
Egon,Willighagen [7]
;
Tomasz,Puzyn [6]
;
Anna,Rybinska-Fryca [7]
;
Alexander,Lyubartsev [8]
;
Keld,Alstrup Jensen [9]
;
Jan Gerit,Brandenburg [10]
;
Stephen,Lofts [9]
;
Claus,Svendsen [11]
;
Samuel,Harrison [12]
;
Dieter,Maier [13]
;
Kaido,Tamm [14]
;
Jaak,Jänes [15]
;
Lauri,Sikk [16]
;
Maria,Dusinska [15]
;
Eleonora,Longhin [17]
;
Elise,Rundén-Pran [18]
;
Espen,Mariussen [18]
;
Naouale,El Yamani [18]
;
Wolfgang,Unger [19]
;
Jörg,Radnik [19]
;
Alexander,Tropsha [19]
;
Yoram,Cohen [19]
;
Jerzy,Leszczynski [19]
;
Christine,Ogilvie Hendren [20]
;
Mark,Wiesner [20]
;
David,Winkler [21]
;
Noriyuki,Suzuki [22]
;
Tae Hyun,Yoon [23]
;
Jang-Sik,Choi [24]
;
Natasha,Sanabria [24]
;
Mary,Gulumian [25]
;
Iseult,Lynch [26]
作者单位：
Nanoinformatics Department, NovaMechanics Ltd, Nicosia, Cyprus.
[1]
School of Geography, Earth and Environmental Sciences, University of Birmingham, B15 2TT Birmingham, UK.
[2]
School of Chemical Engineering, National Technical University of Athens, 157 80 Athens, Greece.
[3]
School of Physics, University College Dublin, Belfield, Dublin 4, Ireland.
[4]
Faculty of Medicine and Health Technology, University of Tampere, FI-33014, Finland.
[5]
Misvik Biology OY, Itäinen Pitkäkatu 4, 20520 Turku, Finland.
[6]
Karolinska Institute, Institute of Environmental Medicine, Nobels väg 13, 17177 Stockholm, Sweden.
[7]
Department of Bioinformatics - BiGCaT, School of Nutrition and Translational Research in Metabolism, Maastricht University, Universiteitssingel 50, 6229 ER Maastricht, the Netherlands.
[8]
QSAR Lab Ltd., Aleja Grunwaldzka 190/102, 80-266 Gdansk, Poland.
[9]
University of Gdansk, Faculty of Chemistry, Wita Stwosza 63, 80-308 Gdansk, Poland.
[10]
Institutionen för material- och miljökemi, Stockholms Universitet, 106 91 Stockholm, Sweden.
[11]
The National Research Center for the Work Environment, Lersø Parkallé 105, 2100 Copenhagen, Denmark.
[12]
Interdisciplinary Center for Scientific Computing, Heidelberg University, Germany.
[13]
Chief Digital Organization, Merck KGaA, Frankfurter Str. 250, 64293 Darmstadt, Germany.
[14]
UK Centre for Ecology and Hydrology, Library Ave, Bailrigg, Lancaster LA1 4AP, UK.
[15]
UK Centre for Ecology and Hydrology, MacLean Bldg, Benson Ln, Crowmarsh Gifford, Wallingford OX10 8BB, UK.
[16]
Biomax Informatics AG, Robert-Koch-Str. 2, 82152 Planegg, Germany.
[17]
Department of Chemistry, University of Tartu, Ülikooli 18, 50090 Tartu, Estonia.
[18]
NILU-Norwegian Institute for Air Research, Instituttveien 18, 2002 Kjeller, Norway.
[19]
Federal Institute for Material Testing and Research (BAM), Unter den Eichen 44-46, 12203 Berlin, Germany.
[20]
Eschelman School of Pharmacy, University of North Carolina at Chapel Hill, 100K Beard Hall, CB# 7568, Chapel Hill, NC 27955-7568, USA.
[21]
Samueli School Of Engineering, University of California, Los Angeles, 5531 Boelter Hall, Los Angeles, CA 90095, USA.
[22]
Interdisciplinary Nanotoxicity Center, Jackson State University, 1400 J. R. Lynch Street, Jackson, MS 39217, USA.
[23]
Center for Environmental Implications of Nanotechnologies, Duke University, 121 Hudson Hall, Durham, NC 27708-0287, USA.
[24]
La Trobe Institute of Molecular Sciences, La Trobe University, Plenty Rd & Kingsbury Dr, Bundoora, VIC 3086, Australia.
[25]
Monash Institute of Pharmaceutical Sciences, Monash University, Parkville 3052, Australia.
[26]
CSIRO Data61, Clayton 3168, Australia.
[27]
School of Pharmacy, University of Nottingham, Nottingham, UK.
[28]
National Institute for Environmental Studies, 16-2 Onogawa, Tsukuba, Ibaraki 305-0053, Japan.
[29]
Department of Chemistry, College of Natural Sciences, Hanyang University, Seoul 04763, Republic of Korea.
[30]
Institute of Next Generation Material Design, Hanyang University, Seoul 04763, Republic of Korea.
[31]
National Health Laboratory Services, 1 Modderfontein Rd, Sandringham, Johannesburg 2192, South Africa.
[32]
Haematology and Molecular Medicine, University of the Witwatersrand, Johannesburg, South Africa.
[33]
关键词
(quantitative) Structure–activity relationshipsAI, Artificial IntelligenceAOPs, Adverse Outcome PathwaysAPI, Application Programming interfaceCG, coarse-grained (model)CNTs, carbon nanotubesComputational toxicologyEngineered nanomaterialsFAIR, Findable Accessible Inter-operable and Re-usableGUI, Graphical Processing UnitHOMO-LUMO, Highest Occupied Molecular Orbital Lowest Unoccupied Molecular OrbitalHazard assessmentIATA, Integrated Approaches to Testing and AssessmentIntegrated approach for testing and assessmentKE, key eventsMIE, molecular initiating eventsML, machine learningMOA, mechanism (mode) of actionMWCNT, multi-walled carbon nanotubesMachine learningNMs, nanomaterialsNanoinformaticsOECD, Organisation for Economic Co-operation and DevelopmentPBPK, Physiologically Based PharmacoKineticsPC, Protein CoronaPChem, PhysicochemicalPTGS, Predictive Toxicogenomics SpacePredictive modellingQC, quantum-chemicalQM, quantum-mechanicalQSAR, quantitative structure-activity relationshipQSPR, quantitative structure-property relationshipRA, risk assessmentREST, Representational State TransferROS, reactive oxygen speciesRead acrossSAR, structure-activity relationshipSMILES, Simplified Molecular Input Line Entry SystemSOPs, standard operating proceduresSafe-by-designToxicogenomics
DOI
10.1016/j.csbj.2020.02.023
PMID
32226594
发布时间
2023-11-13
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