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المؤلفون: Yusuke Kamiya, Junya Ohori, Fumiaki Shono, Hiroshi Yamazaki, Kimito Funatsu, Tomonori Miura, Masato Kitajima, Makiko Shimizu, Kentaro Handa
المصدر: Chemical Research in Toxicology. 34:2180-2183
مصطلحات موضوعية: Absorption rate, Chemical descriptors, Physiologically based pharmacokinetic modelling, Tissue concentrations, Correlation coefficient, Pharmacokinetics, Chemistry, In silico, General Medicine, Toxicology, Biological system, Systemic circulation
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::b14c6e1400ec26e6aaeb7ea68c33b0e6Test
https://doi.org/10.1021/acs.chemrestox.1c00249Test -
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مصطلحات موضوعية: History, Energy, Polymers and Plastics, General Chemical Engineering, Mechanical Engineering, Organic Chemistry, Chemical descriptors, Energy Engineering and Power Technology, Chemical Engineering, Industrial and Manufacturing Engineering, Fuel Technology, Biofuel, TPOT, Machine learning, Business and International Management, Physical Chemistry (incl. Structural)
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60272cf227a6f039bead1d1fcf40a1bfTest
https://escholarship.org/uc/item/26z332r4Test -
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المؤلفون: Lu Liu, Aiping Lu, Guo-Li Xiong, Dong-Sheng Cao, Tingjun Hou, Yue Zhao, Zhong-Ye Ma, Yan Cheng
المصدر: Journal of Medicinal Chemistry. 64:7544-7554
مصطلحات موضوعية: 0303 health sciences, Chemical descriptors, Quantitative structure–activity relationship, Chemistry, Fingerprint (computing), Quantitative Structure-Activity Relationship, Computational biology, Poly(ADP-ribose) Polymerase Inhibitors, Scaffold hopping, 01 natural sciences, Chemical space, Cell Line, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Drug Discovery, Humans, Molecular Medicine, Molecule, Poly(ADP-ribose) Polymerases, Cell Proliferation, 030304 developmental biology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bbe88dba447cf677b647bb79624a792fTest
https://doi.org/10.1021/acs.jmedchem.1c00234Test -
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المؤلفون: Y. Sheena Mary, B. J. Mohan, Goncagül Serdaroğlu, H. Umamahesvari, Balladka Kunhanna Sarojini, Savaş Kaya, Y. Shyma Mary
المصدر: Polycyclic Aromatic Compounds. 42:5160-5170
مصطلحات موضوعية: chemistry.chemical_compound, Chemical descriptors, Polymers and Plastics, Pyrimidine, chemistry, Computational chemistry, Organic Chemistry, Materials Chemistry, Molecular orbital, Thiazole, Derivative (chemistry), Natural bond orbital
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::c6212eb7c2b958a3b3895ed2a8047aa2Test
https://doi.org/10.1080/10406638.2021.1924803Test -
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المؤلفون: Pablo Beato, Stian Svelle, Sebastian Prodinger
المصدر: Chemie Ingenieur Technik. 93:902-915
مصطلحات موضوعية: Chemical descriptors, Chemistry, General Chemical Engineering, Organic chemistry, Catalytic test, Biomass, General Chemistry, Zeolite, Industrial and Manufacturing Engineering, Catalysis
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbb4b0baf66fb2cd8dd03f2169236d0eTest
https://doi.org/10.1002/cite.202000193Test -
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المؤلفون: Andrei Buin, Hung Yi Chiang, S. Andrew Gadsden, Faraz A Alderson
المصدر: Journal of Chemical Information and Modeling. 61:631-640
مصطلحات موضوعية: Chemical descriptors, 010304 chemical physics, business.industry, General Chemical Engineering, Deep learning, Supervised learning, Pattern recognition, General Chemistry, Library and Information Sciences, Invariant (physics), 01 natural sciences, Field (computer science), 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Deep Learning, 0103 physical sciences, Artificial intelligence, Molecular Fingerprinting, business, Algorithms
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc5026f413ffafd346307bd87fce5318Test
https://doi.org/10.1021/acs.jcim.0c01097Test -
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المؤلفون: Sungjoon Park, Yijingxiu Lu, Sangsoo Lim, Young-Kuk Kim, Chang Yun Cho, Sun Kim, Jungwoo Kim, Inyoung Sung
المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 1541-1556 (2021)مصطلحات موضوعية: Computer science, media_common.quotation_subject, Chemical descriptors, Biophysics, Review Article, Machine learning, computer.software_genre, External Data Representation, Biochemistry, 03 medical and health sciences, 0302 clinical medicine, Structural Biology, Encoding (memory), Prediction methods, Compound-protein interaction, Genetics, Leverage (statistics), Quality (business), Pharmacophore discovery, Representation (mathematics), 030304 developmental biology, media_common, 0303 health sciences, Computational model, business.industry, Deep learning, Data representation, Interpretable learning, Protein descriptors, Computer Science Applications, 030220 oncology & carcinogenesis, Artificial intelligence, business, computer, TP248.13-248.65, Biotechnology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8ff8b6bdb4840341b16c62763d44a92Test
https://doi.org/10.1016/j.csbj.2021.03.004Test -
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المؤلفون: Yi Zhong, Danhua Zheng, Zhaofan Xia, Zuquan Weng, Xiaobin Liu, Heng Luo
المصدر: BioMed Research International, Vol 2020 (2020)
BioMed Research Internationalمصطلحات موضوعية: Drug, Chemical descriptors, Article Subject, Databases, Pharmaceutical, media_common.quotation_subject, Bioinformatics, General Biochemistry, Genetics and Molecular Biology, Machine Learning, Databases, Genetic, Humans, Medicine, Computer Simulation, Drug reaction, media_common, General Immunology and Microbiology, Receiver operating characteristic, business.industry, Drug discovery, Computational Biology, General Medicine, ROC Curve, Area Under Curve, Chemical and Drug Induced Liver Injury, Transcriptome, business, Oral retinoid, Research Article
وصف الملف: text/xhtml
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56edd53adf3c56b7a67de0b749069868Test
https://doi.org/10.1155/2020/4795140Test -
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المؤلفون: Arjan Mol, Henny W. Zandbergen, Herman Terryn, Peter Visser, Ali Kosari, Frans D. Tichelaar
المساهمون: Materials and Chemistry, Materials and Surface Science & Engineering, Electrochemical and Surface Engineering
المصدر: CORROSION. 76:4-17
مصطلحات موضوعية: aqueous corrosion, In situ, Chemical descriptors, Materials science, initiation events, 020209 energy, General Chemical Engineering, Aqueous corrosion, High resolution, Nanotechnology, 02 engineering and technology, General Chemistry, 021001 nanoscience & nanotechnology, Corrosion, Transmission electron microscopy, Liquid cell, (S)TEM imaging mode, 0202 electrical engineering, electronic engineering, information engineering, General Materials Science, in situ liquid cell TEM, specimen preparation, 0210 nano-technology, Nanoscopic scale, electron beam effect
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::139650e4adaf04dde72ed63652b6015fTest
https://doi.org/10.5006/3369Test -
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المصدر: Current Topics in Medicinal Chemistry. 19:1679-1693
مصطلحات موضوعية: Drug, 0303 health sciences, Chemical descriptors, Molecular Structure, Management science, Computer science, Drug discovery, Chemistry, Pharmaceutical, media_common.quotation_subject, General Medicine, Chemist, 01 natural sciences, Piperazines, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Expert opinion, Drug Discovery, 030304 developmental biology, Intuition, media_common
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e1f292d671672300eb4b69fc6ea571cTest
https://doi.org/10.2174/1568026619666190620144142Test