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1دورية أكاديمية
المؤلفون: Mare Oja, Sulev Sild, Geven Piir, Uko Maran
المصدر: Pharmaceutics, Vol 14, Iss 10, p 2248 (2022)
مصطلحات موضوعية: solubility, drug substances, QSAR, QSPR, fit-for-purpose training set, multiple linear regression, Pharmacy and materia medica, RS1-441
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Karl Marti Toots, Sulev Sild, Jaan Leis, William E. Acree, Uko Maran
المصدر: International Journal of Molecular Sciences, Vol 23, Iss 14, p 7534 (2022)
مصطلحات موضوعية: Ionic liquid, QSPR, gas-ionic liquid partition coefficient, molecular interactions, support vector regression, gaussian process regression, Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
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المؤلفون: Karl Marti Toots, William E. Acree, Jaan Leis, Uko Maran, Sulev Sild
المصدر: Journal of Molecular Liquids. 343:117573
مصطلحات موضوعية: Hydrogen bond, Thermodynamics, Electrolyte, Condensed Matter Physics, London dispersion force, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Ion, Partition coefficient, chemistry.chemical_compound, chemistry, Molecular descriptor, Ionic liquid, Materials Chemistry, Partition (number theory), Physical and Theoretical Chemistry, Spectroscopy
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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: Sulev Sild, Uko Maran, Daniel Neagu, Geven Piir
المصدر: Big Data in Predictive Toxicology ISBN: 9781782622987
مصطلحات موضوعية: Structure (mathematical logic), Knowledge extraction, Mathematical model, Computer science, business.industry, Big data, Quantitative structure, Chemical data, business, USable, Representation (mathematics), Data science
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::aa92518642a3bdeca615ca1635b04738
https://doi.org/10.1039/9781782623656-00185 -
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المؤلفون: Uko Maran, Mare Oja, Sulev Sild
المصدر: Journal of chemical information and modeling. 59(5)
مصطلحات موضوعية: Cell Membrane Permeability, Membrane permeability, Logarithm, General Chemical Engineering, Decision tree, Library and Information Sciences, 01 natural sciences, Models, Biological, Molecular descriptor, 0103 physical sciences, Mathematics, Training set, 010304 chemical physics, External validation, General Chemistry, Hydrogen-Ion Concentration, 0104 chemical sciences, Computer Science Applications, Gastrointestinal Tract, 010404 medicinal & biomolecular chemistry, Permeability (earth sciences), Biopharmaceutical, Logistic Models, Pharmaceutical Preparations, Biological system, Hydrophobic and Hydrophilic Interactions
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المؤلفون: Uko Maran, Iiris Kahn, Sulev Sild, Geven Piir, Alfonso T. García-Sosa, Priit Ahte
المصدر: Environmental Health Perspectives
مصطلحات موضوعية: 0301 basic medicine, Quantitative structure–activity relationship, Chemical Phenomena, Health, Toxicology and Mutagenesis, Best practice, Public Health, Environmental and Occupational Health, Quantitative Structure-Activity Relationship, Reproducibility of Results, Environmental Exposure, Review, Environmental exposure, Models, Theoretical, Biology, Ecotoxicology, 01 natural sciences, Toxicokinetics, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Human health, 030104 developmental biology, Environmental health, Humans, Ecotoxicity
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المؤلفون: Geven Piir, Sulev Sild, Uko Maran
المصدر: Chemosphere. 262:128313
مصطلحات موضوعية: Quantitative structure–activity relationship, Environmental Engineering, medicine.drug_class, Health, Toxicology and Mutagenesis, 0208 environmental biotechnology, Quantitative Structure-Activity Relationship, 02 engineering and technology, Computational biology, 010501 environmental sciences, Biology, 01 natural sciences, Androgen Receptor Agonists, Machine Learning, Multiclass classification, Adverse health effect, Androgen Receptor Antagonists, medicine, Humans, Environmental Chemistry, 0105 earth and related environmental sciences, Androgen binding, Public Health, Environmental and Occupational Health, General Medicine, General Chemistry, Androgen, Pollution, 020801 environmental engineering, Androgen receptor, Models, Chemical, Binary classification, Receptors, Androgen, Androgens, Protein Binding
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المؤلفون: Alfonso T. García-Sosa, Kalev Takkis, Sulev Sild
المصدر: Molecular Informatics. 34:485-492
مصطلحات موضوعية: Models, Molecular, Computer science, medicine.medical_treatment, computer.software_genre, HIV Protease, Structural Biology, Drug Discovery, medicine, Humans, HIV Protease Inhibitor, Binding site, Virtual screening, Protease, biology, Database, Ligand, Organic Chemistry, Active site, HIV Protease Inhibitors, Computer Science Applications, Docking (molecular), HIV-1, biology.protein, Molecular Medicine, Pharmacophore, computer, Databases, Chemical
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المؤلفون: Kalle Kipper, Sulev Sild, Aivar Liiv, Csaba Hetényi, Jaanus Remme
المصدر: Biochimie. 93:834-844
مصطلحات موضوعية: Macromolecular Substances, Molecular Dynamics Simulation, Biology, Methylation, Biochemistry, Ribosome, Pseudouridine, chemistry.chemical_compound, 23S ribosomal RNA, Escherichia coli, Protein biosynthesis, Point Mutation, Base Sequence, Escherichia coli Proteins, Translation (biology), General Medicine, Ribosomal RNA, Kinetics, RNA, Ribosomal, 23S, chemistry, Protein Biosynthesis, Helix, Biophysics, Nucleic Acid Conformation, Release factor, Ribosomes, Peptide Termination Factors