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1دورية أكاديمية
المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-8 (2024)
مصطلحات موضوعية: Molecular descriptor, Fuchsine $$C_20H_19N_3HCl$$ C 2 0 H 1 9 N 3 H C l, Topological descriptors, Medicine, Science
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2045-2322Test
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2رسالة جامعية
المؤلفون: Antolín Hernández, Albert
المساهمون: University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut
مرشدي الرسالة: Mestres i López, Jordi
المصدر: TDX (Tesis Doctorals en Xarxa)
مصطلحات موضوعية: Polypharmacology, Chemical biology, Protein target, Synthetic lethality, Molecular descriptor, Kinases, Biomarkers, Molecular docking, Polifarmacologia, Biologia química, Sonda química, Proteïna diana, Farmacologia de sistemes, Letalitat sintètica, Similatitat química, Descriptor molecular, Quinases, Biomarcador, Acoblament molecular
وصف الملف: application/pdf
الوصول الحر: http://hdl.handle.net/10803/329012Test
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3دورية أكاديمية
المؤلفون: Panwar, Pawan, Yang, Quanpeng, Martini, Ashlie
المصدر: Journal of Cheminformatics. 15(1)
مصطلحات موضوعية: Cheminformatics, LAMMPS, MD simulations, Molecular descriptor, Python, QSPR
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/45d6n98gTest
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4دورية أكاديمية
المؤلفون: Victor Acuña-Guzman, María E. Montoya-Alfaro, Luisa P. Negrón-Ballarte, Christian Solis-Calero
المصدر: Pharmaceuticals, Vol 17, Iss 6, p 750 (2024)
مصطلحات موضوعية: Caco-2 cell line, permeability, intestinal absorption, bioavailability, machine learning, molecular descriptor, Medicine, Pharmacy and materia medica, RS1-441
وصف الملف: electronic resource
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5دورية أكاديمية
مصطلحات موضوعية: Biophysics, Biochemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, classification boundary relative, molecular dynamics simulations, encode molecular attributes, logistic regression model, single 3d conformation, molecular descriptor, single three, single conformation, value predicted, structures studied, since molecules, getaway third, drug molecule, dispersibility model, chemically relevant, atomic mass, asd formation, amorphous state, amorphous form
الإتاحة: https://doi.org/10.1021/acs.molpharmaceut.3c00909.s001Test
https://figshare.com/articles/journal_contribution/Understanding_the_Influence_of_API_Conformations_on_Amorphous_Dispersion_Formation_Potential_Predictions_using_the_i_R_i_3_i_m_i_Molecular_Descriptor/24952355Test -
6دورية أكاديمية
المؤلفون: Ozren Jovic, RABAH MOURAS
مصطلحات موضوعية: Chemical sciences, solubility, machine learning, extreme gradient boosting, variable selection, conformal predictor, prediction interval, applicability domain, molecular descriptor
الإتاحة: https://doi.org/10.34961/researchrepository-ul.25011581.v1Test
https://figshare.com/articles/journal_contribution/Extreme_gradient_boosting_combined_with_conformal_predictors_for_informative_solubility_estimation/25011581Test -
7دورية أكاديمية
المؤلفون: T. Ehiro
مصطلحات موضوعية: Biochemistry, Cancer, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, Cheminformatics, molecular descriptor, Morgan fingerprint, persistent homology, topological data analysis
الإتاحة: https://doi.org/10.6084/m9.figshare.25018656.v1Test
https://figshare.com/articles/journal_contribution/Descriptor_generation_from_Morgan_fingerprint_using_persistent_homology/25018656Test -
8دورية أكاديمية
المساهمون: Department of Computer Science, Institute for Atmospheric and Earth System Research (INAR), Helsinki Institute for Information Technology
مصطلحات موضوعية: 113 Computer and information sciences, Dimensionality reduction, Molecular descriptor, Cosmo
وصف الملف: application/pdf
العلاقة: Seppäläinen , L S , Björklund , A , Besel , V & Puolamäki , K 2024 , ' Using SLISEMAP to interpret physical data ' , PLoS One , vol. 19 , no. 1 , e0297714 . https://doi.org/10.1371/journal.pone.0297714Test; ORCID: /0000-0003-1819-1047/work/151788761; ORCID: /0000-0002-3380-6575/work/151793156; ORCID: /0000-0002-7749-2918/work/151795267; 35e37518-e14f-4e95-a6f2-cee2d44c1edf; http://hdl.handle.net/10138/570277Test; 001158471300092
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9دورية أكاديمية
المؤلفون: Noviandy, Teuku Rizky, Nisa, Khairun, Idroes, Ghalieb Mutig, Hardi, Irsan, Sasmita, Novi Reandy
المصدر: Journal of Computing Theories and Applications; Vol 1, No 4 (2024): in progress; 358-367 ; 3024-9104
مصطلحات موضوعية: ChEMBL, Machine-learning, Molecular descriptor, QSAR, Virtual screening
وصف الملف: application/pdf
العلاقة: https://publikasi.dinus.ac.id/index.php/jcta/article/view/10129/4394Test; https://publikasi.dinus.ac.id/index.php/jcta/article/downloadSuppFile/10129/2480Test; https://publikasi.dinus.ac.id/index.php/jcta/article/downloadSuppFile/10129/2549Test; https://publikasi.dinus.ac.id/index.php/jcta/article/downloadSuppFile/10129/2550Test; https://publikasi.dinus.ac.id/index.php/jcta/article/view/10129Test
الإتاحة: https://doi.org/10.62411/jcta.10129Test
https://publikasi.dinus.ac.id/index.php/jcta/article/view/10129Test -
10دورية أكاديمية
المؤلفون: Pawan Panwar, Quanpeng Yang, Ashlie Martini
المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-13 (2023)
مصطلحات موضوعية: LAMMPS, Molecular descriptor, QSPR, Cheminformatics, MD simulations, Python, Information technology, T58.5-58.64, Chemistry, QD1-999
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/1758-2946Test
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