المؤلفون: Chia Ming Chang, Arkaprava Banerjee, Vinay Kumar, Kunal Roy, Emilio Benfenati

المصدر: Scientific Reports, Vol 15, Iss 1, Pp 1-16 (2025)

مصطلحات موضوعية: Quantitative structure-property relationship (QSPR), Read-across (RA), Quantitative Read-Across structure-property relationship (q-RASPR), Persistent Organic pollutants (POPs), Polychlorinated Biphenyls (PCBs), Polybrominated Diphenyl Ethers (PBDEs), Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/3cfe5223e9784045be27eea5fa9f842a

المؤلفون: A.V. Kotomkin, Yu.D. Orlov

المصدر: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Vol 16, Pp 493-500 (2024)

مصطلحات موضوعية: structure – property relationship, thermodynamic properties, additive model, electron structure, enthalpy of formation, quantum theory of atoms in molecules, electron density, fluorine alkanes, isobutene, neopentane, Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://physchemaspects.ru/2024/doi-10-26456-pcascnn-2024-16-493/?lang=en; https://doaj.org/toc/2226-4442; https://doaj.org/toc/2658-4360

URL الوصول: https://doaj.org/article/97628b23f7f64d599b57db398be8438b

المؤلفون: Zhao, Jiaxi, Hermans, Eline, Sepassi, Kia, Tistaert, Christophe, Bergström, Christel A.S., 1973, Ahmad, Mazen, Larsson, Per

المصدر: Molecular Pharmaceutics. 21(10):5261-5271

مصطلحات موضوعية: solubility prediction, machine learning, quantitative structure−property relationship (QSPR), intrinsic solubility, data quality

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-545169
https://doi.org/10.1021/acs.molpharmaceut.4c00685
https://uu.diva-portal.org/smash/get/diva2:1920732/FULLTEXT01.pdf

المؤلفون: Alle, Thibault, Joyasawal, Sipak, Oukoloff, Killian, Long, Keith, Owyang, Zachary, Francisco, Karol R, Cahard, Dominique, Huryn, Donna M, Ballatore, Carlo

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Carboxylic Acids, Alcohols, Fluorine, Isosteric replacement, Acid bioisosteres, Structure -property relationship, Structure-property relationship, Organic Chemistry, Pharmacology and Pharmaceutical Sciences, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Organic chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8xc9b4sg
https://escholarship.org/content/qt8xc9b4sg/qt8xc9b4sg.pdf

المؤلفون: Liangyu Mo, Jincheng Qin, Mingsheng Ma, Zhifu Liu

المصدر: Journal of Materiomics, Vol 11, Iss 4, Pp 100926- (2025)

مصطلحات موضوعية: ABO4-type microwave dielectric ceramics, Q×f value, Machine learning, Quantitative structure-property relationship, Materials of engineering and construction. Mechanics of materials, TA401-492

Relation: http://www.sciencedirect.com/science/article/pii/S2352847824001655; https://doaj.org/toc/2352-8478; https://doaj.org/article/2ab39f312ad7414abdcbdb41c8751200

الاتاحة: https://doi.org/10.1016/j.jmat.2024.100926
https://doaj.org/article/2ab39f312ad7414abdcbdb41c8751200

المؤلفون: Tao Shen, Bo Li, Jianrui Zhang, Fuzhen Xuan

المصدر: Virtual and Physical Prototyping, Vol 20, Iss 1 (2025)

مصطلحات موضوعية: Laser powder bed fusion, structure-property relationship, cellular automata, machine learning, integrated computation, Science, Manufactures, TS1-2301

Relation: https://doaj.org/toc/1745-2759; https://doaj.org/toc/1745-2767; https://doaj.org/article/44b46d77749347c296192a52e3a84a87

الاتاحة: https://doi.org/10.1080/17452759.2024.2441947
https://doaj.org/article/44b46d77749347c296192a52e3a84a87

المؤلفون: Qiling Zhang, Yuling Liu, Ruying Tang, Shasha Kong, Dan Lv, Hui Li, Hongjun Yang, Longfei Lin

المصدر: Carbohydrate Polymer Technologies and Applications, Vol 8, Iss , Pp 100567- (2024)

مصطلحات موضوعية: Traditional Chinese medicine polysaccharide, Gut microbiota, Anti-aging, Aging disease, Gut microbial metabolite, The structure-property relationship, Biochemistry, QD415-436

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2666893924001476; https://doaj.org/toc/2666-8939

URL الوصول: https://doaj.org/article/705f201476de4a78b72bb2af206ce5e8

المؤلفون: Hocheol Lim

المصدر: Materials Today Advances, Vol 24, Iss , Pp 100529- (2024)

مصطلحات موضوعية: Materials discovery, De novo molecule design, Fine-tuning, Quantitative structure-property relationship, Ionic liquid, Materials of engineering and construction. Mechanics of materials, TA401-492

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2590049824000663; https://doaj.org/toc/2590-0498

URL الوصول: https://doaj.org/article/3f3d63747c164dc08aa72a63b621c7f4

المؤلفون: Adrian L. Usler, Henrik J. Heelweg, Roger A. De Souza, Annalena R. Genreith-Schriever

المصدر: Solids, Vol 5, Iss 3, Pp 404-421 (2024)

مصطلحات موضوعية: CeO2, grain boundary, structural width, segregation, structure–property relationship, acceptor doped, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-6497/5/3/27; https://doaj.org/toc/2673-6497

URL الوصول: https://doaj.org/article/576453ef99e64bff82733298bb054f63

المؤلفون: Priyanta Barman, Malay Kumar Das, Banani Das, Sergei Mironov, Vera Hamplova, Alexej Bubnov

المصدر: Next Materials, Vol 5, Iss , Pp 100208- (2024)

مصطلحات موضوعية: Chiral liquid crystals, Mesomorphic properties, Electro-optical measurements, Dielectric spectroscopy, Structure-property relationship, Re-entrant SmC* phase, Technology

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949822824001059; https://doaj.org/toc/2949-8228

URL الوصول: https://doaj.org/article/c856efd6f62c430591c8f1d5426dd566

المؤلفون: Rodolfo S.M. Freitas, Xi Jiang

المصدر: Energy and AI, Vol 17, Iss , Pp 100385- (2024)

مصطلحات موضوعية: Chemical descriptors, Quantitative structure–property relationship, Machine learning, Cetane number, Fuel design, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S266654682400051X; https://doaj.org/toc/2666-5468

URL الوصول: https://doaj.org/article/d83ef0d0d0b0407fa77d64501bb78dd9

المؤلفون: Vladimir V. Parakhin, Gennady A. Smirnov

المصدر: FirePhysChem, Vol 4, Iss 1, Pp 21-33 (2024)

مصطلحات موضوعية: Energetic materials, Cage compounds, Polynitro hexaazaisowurtzitanes, Energetic functionalization, Structure-property relationship, Explosives and pyrotechnics, TP267.5-301

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667134423000317; https://doaj.org/toc/2667-1344

URL الوصول: https://doaj.org/article/0032a284ace04dc19313ab16b37f384d

المؤلفون: Hlynsson, Valtýr Freyr

مصطلحات موضوعية: photoredox catalysis, photovoltaics, photosensitizer, N-heterocyclic carbene (NHC), BHAS, synthesis, Organometallic chemistry, structure-property relationship, coordination chemistry, heteroleptic iron complexes, geometry, photophysics, Naturvetenskap, Kemi, Organisk kemi, Natural Sciences, Chemical Sciences, Organic Chemistry, Oorganisk kemi, Inorganic Chemistry

وصف الملف: electronic

URL الوصول: https://lup.lub.lu.se/record/6e16d685-4456-471f-ab93-f13afe5d28a2
https://portal.research.lu.se/files/170408736/Valty_r_Freyr_Hlynsson_-_WEBB.pdf

المؤلفون: Yalun Ku, Wentao Huang, Xing Li, Li Wan, Kuikui Zhang, Longbin Yan, Ying Guo, Shaobo Cheng, Chongxin Shan

المصدر: Carbon Energy, Vol 6, Iss 7, Pp n/a-n/a (2024)

مصطلحات موضوعية: diamond, in situ microscopy, microstructures, phase transition, structure–property relationship, Production of electric energy or power. Powerplants. Central stations, TK1001-1841

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2637-9368

URL الوصول: https://doaj.org/article/ef3fc4f1d30c4c04bb320f44cb204876

المؤلفون: Hanwen Wang, Ying Wang, Ping Wen, Lin Ma, Mingjin Fan, Rui Dong, Chunhua Zhang

المصدر: Friction, Vol 12, Iss 6, Pp 1133-1153 (2023)

مصطلحات موضوعية: oligoether esters (OEEs), low-viscosity ester, friction, wear, quantitative structure–property relationship (QSPR), Mechanical engineering and machinery, TJ1-1570

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2223-7690; https://doaj.org/toc/2223-7704

URL الوصول: https://doaj.org/article/4b998374d45141e988c6ba59bdc49cbf

المؤلفون: Seokgyun Ham, Xin Wang, Hongwei Zhang, Brian Lattimer, Rui Qiao

المصدر: Colloids and Interfaces, Vol 8, Iss 6, p 63 (2024)

مصطلحات موضوعية: molecular property prediction, surfactant, graph neural networks (GNN), quantitative structure–property relationship (QSPR), Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2504-5377/8/6/63; https://doaj.org/toc/2504-5377

URL الوصول: https://doaj.org/article/ab9bc38263764cbb888085cdc8a76abc

المؤلفون: Yanqiang Li, Qingchen Wu, Zheshuai Lin, Youchao Liu, Yang Zhou, Xin Chen, Minjuan Li, Maochun Hong, Junhua Luo, Sangen Zhao

المصدر: Fundamental Research, Vol 3, Iss 6, Pp 974-978 (2023)

مصطلحات موضوعية: Nonlinear optical response, Second harmonic generation, Birefringence, Tricyanomelaminate, Structure-property relationship, Inorganic chemistry, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667325822001893; https://doaj.org/toc/2667-3258

URL الوصول: https://doaj.org/article/5914e604c7884201aa3f4fabcc62a2b4

المؤلفون: M. Arshad Farhan, Sadaf Javaid, Lubna Rasheed, M. Atiq Ur Rehman, M. Nadeem

المصدر: Heliyon, Vol 10, Iss 9, Pp e30181- (2024)

مصطلحات موضوعية: Cationic domains, Structure-Property Relationship, Chemical pressure perturbation, Cationic-rearrangement, Partially-inverse Spinel, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844024062121; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/122ecd6abbef43f0bad7d1e90ed0e17a

المؤلفون: Muhammad Danish, Tehreem Liaquat, Farwa Ashraf, Shahid Zaman

المصدر: Frontiers in Chemistry, Vol 12 (2024)

مصطلحات موضوعية: compounds with anti-cancer/anti-tumor sulfonamides, topological indices(TIs), quantitative structure-property relationship QSPR analysis, and regression models, graph theory, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1413850/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/935e649050744b5e9021c0e2f55b9952

المؤلفون: Bingyu Guo, Zehui Cheng, Shuangqi Hu

المصدر: Heliyon, Vol 10, Iss 7, Pp e28713- (2024)

مصطلحات موضوعية: Auto-ignition temperature, Quantitative structure-property relationship, Anti-propagation neural networks, One-dimensional convolutional neural network, Ternary mixed liquid, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844024047443; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/4ce3f7323f5e40399da003213ef47092