المؤلفون: Clemens Isert (14329094), Jimmy C. Kromann (1926010), Nikolaus Stiefl (1612573), Gisbert Schneider (17096), Richard A. Lewis (535635)

مصطلحات موضوعية: Biotechnology, Sociology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, substantial computational cost, model failure modes, mean absolute errors, large compound collections, house data sets, certain discovery projects, best performing model, learning curves suggests, training set size, test set error, house data set, existing empirical models, potential use cases, 34 log units, based approach incurs, models directly trained, using calculated log, learn calculated log, values going beyond, full qm calculations, drug lipophilicity lipophilicity, machine learning models, public data set, machine learning, drug lipophilicity

Relation: https://figshare.com/articles/journal_contribution/Machine_Learning_for_Fast_Quantum_Mechanics-Based_Approximation_of_Drug_Lipophilicity/21817370

الاتاحة: https://doi.org/10.1021/acsomega.2c05607.s001

المؤلفون: Evgeny Muratov (11106552), Rommie Amaro (10740407), Carolina H Andrade (2285674), Nathan Brown (421008), Sean Ekins (277341), Denis Fourches (395905), Olexandre Isayev (11470028), Dima Kozakov (152588), José L. Medina-Franco (116269), Kenneth Merz (2369614), Tudor Oprea (650496), Vladimir Poroikov (74874), Gisbert Schneider (17096), Matthew H. Todd (1878580), Alexandre Varnek (1425595), David Winkler (4602496), A Zakharov, (11106558), A Cherkasov (9626522), Alexander Tropsha (1308912)

مصطلحات موضوعية: Uncategorized, SARS-CoV-2, drug repurposing, docking, computational chemistry, best practice, review, General Chemistry, COVID-19, computer-aided

Relation: https://figshare.com/articles/journal_contribution/A_Critical_Overview_of_Computational_Approaches_Employed_for_COVID-19_Drug_Discovery/14944416

الاتاحة: https://doi.org/10.26181/614c057d6c8b2

المؤلفون: Roberto Fino (8231478), Dominik Lenhart (6060077), Vishal C. Kalel (8231472), Charlotte A. Softley (11513860), Valeria Napolitano (8231475), Ryan Byrne (11513863), Wolfgang Schliebs (170794), Maciej Dawidowski (8231469), Ralf Erdmann (170790), Michael Sattler (17373), Gisbert Schneider (17096), Oliver Plettenburg (481045), Grzegorz M. Popowicz (179378)

مصطلحات موضوعية: Biochemistry, Pharmacology, Biotechnology, Infectious Diseases, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, f ][ 1, digit micromolar ic, dawidowski et al, adme testing gives, lead molecules toward, peroxisomal import matrix, future lead optimization, aided drug design, new drug active, initial compounds obtained, drug development campaign, based drug design, 50 , lead optimization, aided design, vitro <, protein import, trypanocidal activity, treat trypanosomiasis, taken forward, successfully disrupted, studies result, structural biology

Relation: https://figshare.com/articles/journal_contribution/Computer-Aided_Design_and_Synthesis_of_a_New_Class_of_PEX14_Inhibitors_Substituted_2_3_4_5-Tetrahydrobenzo_F_1_4_oxazepines_as_Potential_New_Trypanocidal_Agents/16725634

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00472.s001

المؤلفون: Jérôme Kaeslin (5829026), Cyrill Brunner (5057693), Sahar Ghiasikhou (11462305), Gisbert Schneider (17096), Renato Zenobi (248557)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Sociology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, thermal shift assay, surface plasmon resonance, magnitude accuracy consuming, prototype microfluidic autosampler, five mutual hits, ms presumably due, less complex matrix, bioaffinity screening based, high ligand concentration, five compounds, efficient autosampler, bioaffinity screening, true positives, titration experiment, throughput screening, three techniques, third round, target protein, sequentially mix, second round, screening results, ms ), lower concentrations

Relation: https://figshare.com/articles/journal_contribution/Bioaffinity_Screening_with_a_Rapid_and_Sample-Efficient_Autosampler_for_Native_Electrospray_Ionization_Mass_Spectrometry/16653205

الاتاحة: https://doi.org/10.1021/acs.analchem.1c03130.s001

المؤلفون: José Jiménez-Luna (10195536), Miha Skalic (5004407), Nils Weskamp (1235919), Gisbert Schneider (17096)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, network models, property prediction, plasma protein binding, property cliffs, hERG channel inhibition, pharmacophore motifs, gradients explainable, Coloring Molecules, molecule generation, Preclinical Relevance Assessment Graph, drug discovery tasks, modeling transparency, XAI approach, cytochrome P 450 inhibition

Relation: https://figshare.com/articles/journal_contribution/Coloring_Molecules_with_Explainable_Artificial_Intelligence_for_Preclinical_Relevance_Assessment/14114460

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01344.s002

المؤلفون: Linné, Carl von, 1707-1778., Paláu y Verderá, Antonio, trad., Universidad Complutense (Alcalá de Henares), ant. pos. BHI BH DER 17096., Colegio Mayor de San Ildefonso (Alcalá de Henares), ant. pos. BHI BH DER 17096., Imprenta Real (Madrid)

Time: España Madrid

وصف الملف: bib

Relation: http://hdl.handle.net/2027/ucm.5319442378; http://hdl.handle.net/2027/ucm.5319461288

الاتاحة: http://hdl.handle.net/2027/ucm.5319442378
http://hdl.handle.net/2027/ucm.5319461288

المؤلفون: Köroğlu, Emrah. 17096 author, Türkoğlu, Musa, 1972- 17097 thesis advisor, Süleyman Demirel Üniversitesi. Sosyal Bilimler Enstitüsü. İktisat Anabilim Dalı. 10470 issuing body

مصطلحات موضوعية: Süleyman Demirel Üniversitesi

Relation: http://tez.sdu.edu.tr/Tezler/TS00339.pdf

الاتاحة: http://tez.sdu.edu.tr/Tezler/TS00339.pdf

المؤلفون: Abe, K., 17015, Abe, T., 17016, Adachi, I., 17017, Aihara, H., 17018, Akai, K., 17019, Akatsu, M., 17020, Akemoto, M., 17021, Asano, Y., 17022, Aso, T., 17023, Aulchenko, V., 17024, Aushev, T., 17025, Nagasaka, Y., 17026, Gershon, T., 17027, Golob, B., 17028, Gordon, A., 17029, Matsuishi, T., 17030, Haba, J., 17031, Hara, K., 17032, Kulasiri, R., 17033, Hayashii, H., 17034, Huang, H. -C., 17035, Bay, A., 17036, Kim, H. J., 17037, Nakamura, T. T., 17038, Kawai, H., 17039, Iwasaki, H., 17040, Schrenk, S., 17041, Kwon, Y. -J., 17042, 17043, Kim, H. O., 17044, Kawakami, Y., 17045, Shidara, T., 17046, Rybicki, K., 17047, Matsumoto, T., 17048, Kim, Hyunwoo, 17049, Lange, J. S., 17050, Kim, J. H., 17051, Sumisawa, K., 17052, Schümann, J., 17053, Nakano, E., 17054, Leder, G., 17055, Michizono, S., 17056, Lee, S. H., 17057, Sagawa, H., 17058, Tanaka, J., 17059, Shwartz, B., 17060, Kobayashi, S., 17061, Mitaroff, W., 17062, Nakao, M., 17063, Miyabayashi, K., 17064, Semenov, S., 17065, Unno, Y., 17066, Sumiyoshi, T., 17067, Lin, S. -W., 17068, Saitoh, S., 17069, Nakazawa, H., 17070, Liventsev, D., 17071, Nam, J. W., 17072, Sidorov, V., 17073, Yabsley, B. D., 17074, Tanaka, M., 17075, Miyabayashi, Y., 17076, Senyo, K., 17077, Miyake, H., 17078, Miyata, H., 17079, Yamashita, Y., 17080, Natkaniec, Z., 17081, Suzuki, S., 17082, Bakich, A. M., 17083, Uno, S., 17084, Nishida, S., 17085, Singh, J. B., 17086, Nitoh, O., 17087, Noguchi, S., 17088, Bizjak, I., 17089, Nozaki, T., 17090, Sakai, Y., 17091, Tawada, M., 17092, Ogawa, S., 17093, Yamada, Y., 17094, Ogawa, Y., 17095, Suzuki, S. Y., 17096, Ohnishi, Y., 17097, Ohshima, T., 17098, Soni, N., 17099, Ohuchi, N., 17100, Seuster, R., 17101, Satpathy, A., 17102, Ushiroda, Y., 17103, Okabe, T., 17104, Ban, Y., 17105, Okuno, S., 17106, Taylor, G. N., 17107, Olsen, S. L., 17108, Ostrowicz, W., 17109, Swain, S. K., 17110, Ozaki, H., 17111, Stanič, S., 17112, Varner, G., 17113, Sevior, M. E., 17114, Yamaguchi, A., 17115, Palka, H., 17116, Park, C. W., 17117, Park, H., 17118, Vahsen, S. E., 17119, Perroud, J. -P., 17120, Piilonen, L. E., 17121, Teramoto, Y., 17122, Rozanska, M., 17123, Schneider, O., 17124, Takahashi, T., 17125, Yamauchi, M., 17126, Starič, M., 17127, Shibuya, H., 17128, Hazumi, M., 17129, Tokuda, S., 17130, Bondar, A., 17131, Takasaki, F., 17132, Sugi, A., 17133, Igaki, T., 17134, Varvell, K. E., 17135, Tamai, K., 17136, Tomura, T., 17137, Tamura, N., 17138, Iwasaki, Y., 17139, Higuchi, T., 17140, Yanai, H., 17141, Tsuboyama, T., 17142, Wang, C. C., 17143, Tsukamoto, T., 17144, Kawasaki, T., 17145, Igarashi, Y., 17146, Bozek, A., 17147, Wang, C. H., 17148, Yokoyama, M., 17149, Wang, J. G., 17150, Hojo, T., 17151, Koiso, H., 17152, Jang, H. K., 17153, Uehara, S., 17154, Yoshida, M., 17155, Bračko, M., 17156, Yuan, Y., 17157, Iijima, T., 17158, MacNaughton, J., 17159, Kichimi, H., 17160, Watanabe, Y., 17161, Hoshi, Y., 17162, Brodzicka, J., 17163, Won, E., 17164, Browder, T. E., 17165, Kaneko, J., 17166, Mueller, J., 17167, Korpar, S., 17168, Yusa, Y., 17169, Ikeda, H., 17170, Zhang, Z. P., 17171, Žontar, D., 17172, Nakadaira, T., 17173, Casey, B. C. K., 17174, Kikuchi, M., 17175, Chang, P., 17176, Mandl, F., 17177, Chao, Y., 17178, Kang, J. H., 17179, Chen, K. -F., 17180, Cheon, B. G., 17181, Inami, K., 17182, Chistov, R., 17183, Hou, W. -S., 17184, Križan, P., 17185, Choi, S. -K., 17186, Nagamine, T., 17187, Choi, Y., 17188, Kikutani, E., 17189, Choi, Y. K., 17190, Drutskoy, A., 17191, Kang, J. S., 17192, Eidelman, S., 17193, Ishikawa, A., 17194, Hsiung, Y. B., 17195, Marlow, D., 17196, Eiges, V., 17197, Enari, Y., 17198, Fukunaga, C., 17199, Krokovny, P., 17200, Furukawa, K., 17201, Gabyshev, N., 17202, Kim, D. W., 17203, Garmash, A., 17204, Katayama, N., 17205, Matsumoto, S., 17206, Itoh, R., 17207

مصطلحات موضوعية: Tamura, Norio, 田村, 詔生

وصف الملف: application/pdf

Relation: Physical Review D; 031102; 67; AA00773624; https://niigata-u.repo.nii.ac.jp/record/2350/files/e031102.pdf

الاتاحة: https://niigata-u.repo.nii.ac.jp/record/2350/files/e031102.pdf

المؤلفون: 今井田, 亜弓, 17096

Relation: http://www.lang.nagoya-u.ac.jp/bugai/kokugen/nichigen/0-kyouiku/research/kotoba.html; ことばの科学; 15; 89; 104; http://hdl.handle.net/2237/7997

الاتاحة: http://hdl.handle.net/2237/7997

المؤلفون: 青木, 一行, 17089, セイエン, シュウゾウ, 木野, 茂, 17090, 工藤, 康弘, 17091, 精園, 修三, 17092, 橋本, 忠欣, 17093, 松尾, 誠之, 17094, 森, 昌弘, 17095, 山田, やす子, 17096, Seien, Shuzo, 17097

وصف الملف: application/pdf

Relation: 中京大学教養論叢; 39; Chukyo University bulletin of the Faculty of Liberal Arts; AN00144529; https://chukyo-u.repo.nii.ac.jp/record/13374/files/KJ00004207325.pdf

الاتاحة: https://chukyo-u.repo.nii.ac.jp/record/13374/files/KJ00004207325.pdf

المؤلفون: Köroğlu, Emrah. 17096 author, Türkoğlu, Musa, 1972- 17097 thesis advisor, Süleyman Demirel Üniversitesi. Sosyal Bilimler Enstitüsü. İktisat Anabilim Dalı. 10470 issuing body

مصطلحات موضوعية: Süleyman Demirel Üniversitesi

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______1865::13bce3ba2c7552c4a324ea5375098592
http://tez.sdu.edu.tr/Tezler/TS00339.pdf

المساهمون: Rudd, V.E. (identifier), Renvoize, S.A.; Erskine, C.M.; Pinheiro, R.; Brighton, C.A.; Harley, R.M. (collector) (field number: 17096)

الاتاحة: http://data.europeana.eu/aggregation/europeana/11614/KXHERBARIUMXK000207394

المساهمون: Airy Shaw, H.K. (identifier), Vink, W. (collector) (field number: 17096)

الاتاحة: http://data.europeana.eu/aggregation/europeana/11614/KXHERBARIUMXK001081378

المساهمون: Barroso, G.M. (identifier), Souza, R.; Irwin, H.S.; Grear, J.W.; Santos, R.R. (collector) (field number: 17096)

الاتاحة: http://data.europeana.eu/aggregation/europeana/11614/KXHERBARIUMXK000989685

المساهمون: Ames, O. (identifier), Robinson, C.B. (collector) (field number: 17096)

الاتاحة: http://data.europeana.eu/aggregation/europeana/11614/KXHERBARIUMXK000891283

المساهمون: Glaziou, A. (collector) (field number: 17096)

الاتاحة: http://data.europeana.eu/aggregation/europeana/11614/KXHERBARIUMXK001086501