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المؤلفون: Paola Gramatica, Linda Bertato, Ester Papa, Nicola Chirico, Alessandro Sangion, Ilaria Casartelli
المصدر: Journal of Computational Chemistry
مصطلحات موضوعية: Hazard (logic), Computer science, Quantitative Structure-Activity Relationship, 010402 general chemistry, 01 natural sciences, alternatives to animal testing, Software, 0103 physical sciences, Animals, Organic Chemicals, Profiling (computer programming), Virtual screening, Platform independent, Molecular Structure, 010304 chemical physics, QSAR, business.industry, Organic chemicals, Suite, Fishes, General Chemistry, virtual screening, 0104 chemical sciences, Computational Mathematics, Software Note, in silico predictions, QSARINS, Software engineering, business
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المؤلفون: Paola Gramatica
المصدر: International Journal of Quantitative Structure-Property Relationships. 5:61-97
مصطلحات موضوعية: 010404 medicinal & biomolecular chemistry, Quantitative structure–activity relationship, Computer science, Management science, 010501 environmental sciences, 01 natural sciences, 0104 chemical sciences, 0105 earth and related environmental sciences
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المؤلفون: Geven Piir, Paola Gramatica, Vinicius M. Alves, Uko Maran, Xianliang Qiao, Michel Petitjean, Christopher M. Grulke, Karl-Werner Schramm, Giuseppe Felice Mangiatordi, Antony J. Williams, Barun Bhhatarai, Sherif Farag, Alexey V. Zakharov, Chetan Rupakheti, Emilio Benfenati, Weida Tong, Chandrabose Selvaraj, Eva Bay Wedebye, Fang Bai, Sugunadevi Sakkiah, Nicole Kleinstreuer, Ann M. Richard, Orazio Nicolotti, Huixiao Hong, George Van Den Driessche, Ilya A. Balabin, Eugene N. Muratov, Imran Shah, Ulf Norinder, Jiazhong Li, Huanxiang Liu, Viviana Consonni, Igor V. Tetko, Pavel V. Pogodin, Ruili Huang, Ester Papa, Ahmed Abdelaziz, Dragos Horvath, Alexandre Varnek, Patricia Ruiz, Carolina Horta Andrade, Domenico Alberga, Ziye Zheng, Roberto Todeschini, Daniela Trisciuzzi, Nina Jeliazkova, Xuehua Li, Dac-Trung Nguyen, Gilles Marcou, Zhongyu Wang, Kamel Mansouri, Alexander Tropsha, Yun Tang, Alessandro Sangion, Todd M. Martin, Xin Hu, Scott Boyer, Hongbin Xie, Serena Manganelli, Richard S. Judson, Nikolai Georgiev Nikolov, Jingwen Chen, Denis Fourches, Vladimir Poroikov, Alfonso T. García-Sosa, Alessandra Roncaglioni, Davide Ballabio, Patrik L. Andersson, Sulev Sild, Francesca Grisoni, Lixia Sun, Olivier Taboureau
المساهمون: US Environmental Protection Agency (EPA), University of Insubria, Varese, Laboratoire de Chémoinformatique, Chimie de la matière complexe (CMC), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Istituto di Ricovero e Cura a Carattere Scientifico (IRCCS), Università degli studi di Bari, Unité de Biologie Fonctionnelle et Adaptative (BFA (UMR_8251 / U1133)), Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), University of North Carolina [Chapel Hill] (UNC), University of North Carolina System (UNC), Mansouri, K, Kleinstreuer, N, Abdelaziz, A, Alberga, D, Alves, V, Andersson, P, Andrade, C, Bai, F, Balabin, I, Ballabio, D, Benfenati, E, Bhhatarai, B, Boyer, S, Chen, J, Consonni, V, Farag, S, Fourches, D, García-Sosa, A, Gramatica, P, Grisoni, F, Grulke, C, Hong, H, Horvath, D, Hu, X, Huang, R, Jeliazkova, N, Li, J, Li, X, Liu, H, Manganelli, S, Mangiatordi, G, Maran, U, Marcou, G, Martin, T, Muratov, E, Nguyen, D, Nicolotti, O, Nikolov, N, Norinder, U, Papa, E, Petitjean, M, Piir, G, Pogodin, P, Poroikov, V, Qiao, X, Richard, A, Roncaglioni, A, Ruiz, P, Rupakheti, C, Sakkiah, S, Sangion, A, Schramm, K, Selvaraj, C, Shah, I, Sild, S, Sun, L, Taboureau, O, Tang, Y, Tetko, I, Todeschini, R, Tong, W, Trisciuzzi, D, Tropsha, A, Van Den Driessche, G, Varnek, A, Wang, Z, Wedebye, E, Williams, A, Xie, H, Zakharov, A, Zheng, Z, Judson, R, National Institute of Environmental Health Sciences, National Institutes of Health, University of Bari Aldo Moro (UNIBA), Federal University of Goiás [Jataí], Dept. of Statistics - University of North Carolina - Chapel Hill, University of North Carolina System (UNC)-University of North Carolina System (UNC), Umeå University, Lanzhou University, Università degli Studi di Milano-Bicocca [Milano] (UNIMIB), Istituto di Ricerche Farmacologiche 'Mario Negri', Karolinska Institutet [Stockholm], Dalian University of Technology, Department of Statistics University of Milano Bicocca, University of North Carolina at Chapel Hill (UNC), North Carolina State University [Raleigh] (NC State), Institute of Computer Science [University of Tartu, Estonie], University of Tartu, U.S. ENVIRONMENTAL PROTECTION AGENCY USA, Partenaires IRSTEA, Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA), U.S. Food and Drug Administration (FDA), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), National Institutes of Health [Bethesda] (NIH), Università degli studi di Bari Aldo Moro (UNIBA), Technical University of Denmark [Lyngby] (DTU), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Institute of Biomedical Chemistry [Moscou] (IBMC), Centers for Disease Control and Prevention, The University of Chicago Medicine [Chicago], East China University of Science and Technology, German Research Center for Environmental Health - Helmholtz Center München (GmbH)
المصدر: Environmental Health Perspectives
Mansouri, K, Kleinstreuer, N, Abdelaziz, A M, Alberga, D, Alves, V M, Andersson, P L, Andrade, C H, Bai, F, Balabin, I, Ballabio, D, Benfenati, E, Bhhatarai, B, Boyer, S, Chen, J, Consonni, V, Farag, S, Fourches, D, García-Sosa, A T, Gramatica, P, Grisoni, F, Grulke, C M, Hong, H, Horvath, D, Hu, X, Huang, R, Jeliazkova, N, Li, J, Li, X, Liu, H, Manganelli, S, Mangiatordi, G F, Maran, U, Marcou, G, Martin, T, Muratov, E, Nguyen, D-T, Nicolotti, O, Nikolov, N G, Norinder, U, Papa, E, Petitjean, M, Piir, G, Pogodin, P, Poroikov, V, Qiao, X, Richard, A M, Roncaglioni, A, Ruiz, P, Rupakheti, C, Sakkiah, S, Sangion, A, Schramm, K-W, Selvaraj, C, Shah, I, Sild, S, Sun, L, Taboureau, O, Tang, Y, Tetko, I V, Todeschini, R, Tong, W, Trisciuzzi, D, Tropsha, A, Van Den Driessche, G, Varnek, A, Wang, Z, Wedebye, E B, Williams, A J, Xie, H, Zakharov, A V, Zheng, Z & Judson, R S 2020, ' CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity ', Environmental Health Perspectives, vol. 128, no. 2, 027002 . https://doi.org/10.1289/ehp5580
Environmental Health Perspectives, National Institute of Environmental Health Sciences, 2020, 128 (2), pp.027002. ⟨10.1289/EHP5580⟩مصطلحات موضوعية: Databases, Factual, Health, Toxicology and Mutagenesis, Computational biology, Pharmacology and Toxicology, 010501 environmental sciences, Biology, Endocrine Disruptors, 01 natural sciences, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, CHIM/01 - CHIMICA ANALITICA, High-Throughput Screening Assays, consensu, Endocrine system, Humans, Computer Simulation, 030212 general & internal medicine, United States Environmental Protection Agency, 0105 earth and related environmental sciences, QSAR, Research, Public Health, Environmental and Occupational Health, Farmakologi och toxikologi, United States, 3. Good health, Metabolic pathway, machine learning, chemistry, 13. Climate action, Receptors, Androgen, chemical modelling, Androgen Receptor, Androgens, Xenobiotic, Androgen receptor activity, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Hormone
وصف الملف: application/pdf
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المؤلفون: Paola Gramatica, Alessandro Sangion, Olivier Taboureau, Ester Papa
المصدر: International Journal of Quantitative Structure-Property Relationships. 3:49-60
مصطلحات موضوعية: 0301 basic medicine, 03 medical and health sciences, 030104 developmental biology, 0404 agricultural biotechnology, Chemistry, Biophysics, Molecule, 04 agricultural and veterinary sciences, 040401 food science
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المؤلفون: Paola Gramatica, Alessandro Sangion, Ester Papa, Jon A. Arnot
المصدر: Food and Chemical Toxicology. 112:535-543
مصطلحات موضوعية: Quantitative structure–activity relationship, Biotransformation half-life, Hazard assessment, In vivo biotransformation, QSAR, Refined PBT assessment, Food Science, Toxicology, Quantitative Structure-Activity Relationship, Cosmetics, 010501 environmental sciences, Models, Biological, 01 natural sciences, Environmental impact of pharmaceuticals and personal care products, Biotransformation, Animals, Humans, Toxicokinetics, Organism, 0105 earth and related environmental sciences, ADME, Principal Component Analysis, Chemistry, Fishes, General Medicine, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, Bioaccumulation, Environmental chemistry, Algorithms, Half-Life, Applicability domain
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المؤلفون: Paola Gramatica, Alessandro Sangion
المصدر: Environment International, Vol 95, Iss, Pp 131-143 (2016)
مصطلحات موضوعية: 0301 basic medicine, Quantitative structure–activity relationship, Engineering, Cyprinidae, Quantitative Structure-Activity Relationship, 010501 environmental sciences, Ecotoxicology, 01 natural sciences, Aquatic toxicology, 03 medical and health sciences, Hazardous waste, Molecular descriptor, Microalgae, Toxicity Tests, Acute, Animals, Ecotoxicity, Aquatic Toxicity Index, PCA, Pharmaceuticals, QSARINS, Ranking, 2300, lcsh:Environmental sciences, 0105 earth and related environmental sciences, General Environmental Science, lcsh:GE1-350, Principal Component Analysis, business.industry, Fishes, Environmental engineering, Missing data, Acute toxicity, 030104 developmental biology, Daphnia, Pharmaceutical Preparations, Oncorhynchus mykiss, Linear Models, Biochemical engineering, business, Water Pollutants, Chemical, Applicability domain
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المؤلفون: Paola Gramatica, Alessandro Sangion
المصدر: SAR and QSAR in Environmental Research. 27:781-798
مصطلحات موضوعية: 0301 basic medicine, PPCP, Quantitative structure–activity relationship, Drug-Related Side Effects and Adverse Reactions, Daphnia magna, Cyprinidae, Quantitative Structure-Activity Relationship, Bioengineering, Cosmetics, 010501 environmental sciences, 01 natural sciences, Environmental impact of pharmaceuticals and personal care products, Daphnia, 03 medical and health sciences, Molecular descriptor, Drug Discovery, Animals, fish, Interspecies, QAAR, QSARINS, Molecular Medicine, Drug Discovery3003 Pharmaceutical Science, 0105 earth and related environmental sciences, Trophic level, Models, Statistical, biology, Computational Biology, General Medicine, biology.organism_classification, Ecological indicator, 030104 developmental biology, Oncorhynchus mykiss, Environmental chemistry, Environmental Pollutants, Biochemical engineering, Ecotoxicity
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المؤلفون: Alessandro Sangion, Paola Gramatica
المصدر: Journal of Chemical Information and Modeling. 56:1127-1131
مصطلحات موضوعية: History, Quantitative structure–activity relationship, Computer science, General Chemical Engineering, Statistics as Topic, Quantitative Structure-Activity Relationship, Predictive capability, Scientific literature, 010501 environmental sciences, Library and Information Sciences, computer.software_genre, History, 21st Century, 01 natural sciences, Model validation, Terminology, Theoretical, Models, Chemical Engineering (all), Models, Theoretical, Chemistry (all), Computer Science Applications1707 Computer Vision and Pattern Recognition, 0105 earth and related environmental sciences, Statistical validation, External validation, General Chemistry, 21st Century, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Data mining, computer
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المؤلفون: Ester Papa, Alessandro Sangion, Paola Gramatica
المصدر: Environmental science. Processesimpacts. 20(1)
مصطلحات موضوعية: 0301 basic medicine, Hazard (logic), Prioritization, Quantitative structure–activity relationship, Multivariate statistics, Monitoring, Computer science, Endpoint Determination, Quantitative Structure-Activity Relationship, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, Risk Assessment, Hazardous Substances, 03 medical and health sciences, Hazardous waste, Molecular descriptor, Environmental Chemistry, Animals, Humans, Organic Chemicals, 0105 earth and related environmental sciences, Principal Component Analysis, Policy and Law, Molecular Structure, Environmental and Occupational Health, Public Health, Environmental and Occupational Health, Quantitative structure, General Medicine, Models, Theoretical, Management, 030104 developmental biology, Environmental Pollutants, Public Health, Biochemical engineering, Half-Life
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d5c8a9e2e3264653f33d4f85524fa4c
https://pubmed.ncbi.nlm.nih.gov/29226926 -
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المؤلفون: Ester Papa, Paola Gramatica, Simona Kovarich, Lidia Ceriani, Robert S. Boethling
المصدر: Environmental Toxicology and Chemistry. 34:1224-1231
مصطلحات موضوعية: Quantitative structure–activity relationship, business.industry, Computer science, Health, Toxicology and Mutagenesis, Decision tree, Quantitative structure, Machine learning, computer.software_genre, Environmental Chemistry, Classification methods, Leverage (statistics), Artificial intelligence, business, computer, Applicability domain
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