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1دورية أكاديمية
المؤلفون: Schimunek J., Seidl P., Elez K., Hempel T., Le T., Noé F., Olsson S., Raich L., Winter R., Gokcan H., Gusev F., Gutkin E. M., Isayev O., Kurnikova M. G., Narangoda C. H., Zubatyuk R., Bosko I. P., Furs K. V., Karpenko A. D., Kornoushenko Y. V., Shuldau M., Yushkevich A., Benabderrahmane M. B., Bousquet-Melou P., Bureau R., Charton B., Cirou B. C., Gil G., Allen W. J., Sirimulla S., Watowich S., Antonopoulos N., Epitropakis N., Krasoulis A., Itsikalis V., Theodorakis S., Kozlovskii I., Maliutin A., Medvedev A., Popov P., Zaretckii M., Eghbal-Zadeh H., Halmich C., Hochreiter S., Mayr A., Ruch P., Widrich M., Berenger F., Kumar A., Yamanishi Y., Zhang K. Y. J., Bengio E., Bengio Y., Jain M. J., Korablyov M., Liu C. H., Marcou G., Glaab E., Barnsley K., Iyengar S. M., Ondrechen M. J., Haupt V. J., Kaiser F., Schroeder M., Pugliese L., Albani S., Athanasiou C., Beccari A., Carloni P., D'Arrigo G., Gianquinto E., Goßen J., Hanke A., Joseph B. P., Kokh D. B., Kovachka S., Manelfi C., Mukherjee G., Muñiz-Chicharro A., Musiani F., Nunes-Alves A., Paiardi G., Rossetti G., Sadiq S. K., Spyrakis F., Talarico C., Tsengenes A., Wade R. C., Copeland C., Gaiser J., Olson D. R., Roy A., Venkatraman V., Wheeler T. J., Arthanari H., Blaschitz K., Cespugli M., Durmaz V., Fackeldey K., Fischer P. D.
المساهمون: Schimunek J., Seidl P., Elez K., Hempel T., Le T., Noé F., Olsson S., Raich L., Winter R., Gokcan H., Gusev F., Gutkin E.M., Isayev O., Kurnikova M.G., Narangoda C.H., Zubatyuk R., Bosko I.P., Furs K.V., Karpenko A.D., Kornoushenko Y.V., Shuldau M., Yushkevich A., Benabderrahmane M.B., Bousquet-Melou P., Bureau R., Charton B., Cirou B.C., Gil G., Allen W.J., Sirimulla S., Watowich S., Antonopoulos N., Epitropakis N., Krasoulis A., Itsikalis V., Theodorakis S., Kozlovskii I., Maliutin A., Medvedev A., Popov P., Zaretckii M., Eghbal-Zadeh H., Halmich C., Hochreiter S., Mayr A., Ruch P., Widrich M., Berenger F., Kumar A., Yamanishi Y., Zhang K.Y.J., Bengio E., Bengio Y., Jain M.J., Korablyov M., Liu C.H., Marcou G., Glaab E., Barnsley K., Iyengar S.M., Ondrechen M.J., Haupt V.J., Kaiser F., Schroeder M., Pugliese L., Albani S., Athanasiou C., Beccari A., Carloni P., D'Arrigo G., Gianquinto E., Goßen J., Hanke A., Joseph B.P., Kokh D.B., Kovachka S., Manelfi C., Mukherjee G., Muñiz-Chicharro A., Musiani F., Nunes-Alves A., Paiardi G., Rossetti G., Sadiq S.K., Spyrakis F., Talarico C., Tsengenes A., Wade R.C., Copeland C., Gaiser J., Olson D.R., Roy A., Venkatraman V., Wheeler T.J., Arthanari H., Blaschitz K., Cespugli M., Durmaz V., Fackeldey K., Fischer P.D.
مصطلحات موضوعية: COVID-19, SARS-CoV-2, drug discovery, machine learning
وصف الملف: STAMPA
العلاقة: info:eu-repo/semantics/altIdentifier/pmid/37833243; volume:43; issue:1; firstpage:1; lastpage:19; numberofpages:19; journal:MOLECULAR INFORMATICS; https://hdl.handle.net/11585/955638Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85176949170
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2دورية أكاديمية
المؤلفون: Kulik H. J., Hammerschmidt T., Schmidt J., Botti S., Marques M. A. L., Boley M., Scheffler M., Todorovic M., Rinke P., Oses C., Smolyanyuk A., Curtarolo S., Tkatchenko A., Bartok A. P., Manzhos S., Ihara M., Carrington T., Behler J., Isayev O., Veit M., Grisafi A., Nigam J., Ceriotti M., Schutt K. T., Westermayr J., Gastegger M., Maurer R. J., Kalita B., Burke K., Nagai R., Akashi R., Sugino O., Hermann J., Noe F., Pilati S., Draxl C., Kuban M., Rigamonti S., Scheidgen M., Esters M., Hicks D., Toher C., Balachandran P. V., Tamblyn I., Whitelam S., Bellinger C., Ghiringhelli L. M.
المساهمون: Kulik, H. J., Hammerschmidt, T., Schmidt, J., Botti, S., Marques, M. A. L., Boley, M., Scheffler, M., Todorovic, M., Rinke, P., Oses, C., Smolyanyuk, A., Curtarolo, S., Tkatchenko, A., Bartok, A. P., Manzhos, S., Ihara, M., Carrington, T., Behler, J., Isayev, O., Veit, M., Grisafi, A., Nigam, J., Ceriotti, M., Schutt, K. T., Westermayr, J., Gastegger, M., Maurer, R. J., Kalita, B., Burke, K., Nagai, R., Akashi, R., Sugino, O., Hermann, J., Noe, F., Pilati, S., Draxl, C., Kuban, M., Rigamonti, S., Scheidgen, M., Esters, M., Hicks, D., Toher, C., Balachandran, P. V., Tamblyn, I., Whitelam, S., Bellinger, C., Ghiringhelli, L. M.
العلاقة: info:eu-repo/semantics/altIdentifier/wos/WOS:000905109200001; volume:4; issue:2; firstpage:1; lastpage:60; numberofpages:60; journal:ELECTRONIC STRUCTURE; https://hdl.handle.net/11581/466254Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85137133076; https://iopscience.iop.org/article/10.1088/2516-1075/ac572fTest
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3دورية أكاديمية
المؤلفون: Fronzi, M, Isayev, O, Winkler, DA, Shapter, JG, Ellis, AV, Sherrell, PC, Shepelin, NA, Corletto, A, Ford, MJ
وصف الملف: application/pdf
العلاقة: http://purl.org/au-research/grants/arc/DP200101217Test; Advanced Intelligent Systems; Advanced Intelligent Systems, 2021, 3, (11), pp. 2100080; http://hdl.handle.net/10453/152823Test
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4دورية أكاديمية
المؤلفون: Kulik, H., Hammerschmidt, T., Schmidt, J., Botti, S., Marques, M., Boley, M., Scheffler, M., Todorović, M., Rinke, P., Oses, C., Smolyanyuk, A., Curtarolo, S., Tkatchenko, A., Bartók, A., Manzhos, S., Ihara, M., Carrington, T., Behler, J., Isayev, O., Veit, M., Grisafi, A., Nigam, J., Ceriotti, M., Schütt, K., Westermayr, J., Gastegger, M., Maurer, R., Kalita, B., Burke, K., Nagai, R., Akashi, R., Sugino, O., Hermann, J., Noé, F., Pilati, S., Draxl, C., Kuban, M., Rigamonti, S., Scheidgen, M., Esters, M., Hicks, D., Toher, C., Balachandran, P., Tamblyn, I., Whitelam, S., Bellinger, C., Ghiringhelli, L.
المصدر: Electronic Structure
وصف الملف: application/pdf
العلاقة: info:eu-repo/grantAgreement/EC/H2020/949119; info:eu-repo/grantAgreement/EC/H2020/740233; http://hdl.handle.net/21.11116/0000-000B-293D-4Test; http://hdl.handle.net/21.11116/0000-000B-293F-2Test
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5دورية أكاديمية
المؤلفون: Kulik, H. J., Hammerschmidt, T., Schmidt, J., Botti, S., Marques, M. A. L., Boley, M., Scheffler, M., Todorović, M., Rinke, P., Oses, C., Smolyanyuk, A., Curtarolo, S., Tkatchenko, A., Bartók, A. P., Manzhos, S., Ihara, M., Carrington, T., Behler, J., Isayev, O., Veit, M., Grisafi, A., Nigam, J., Ceriotti, M., Schütt, K. T., Westermayr, J., Gastegger, M., Maurer, R. J., Kalita, B., Burke, K., Nagai, R., Akashi, R., Sugino, O., Hermann, J., Noé, F., Pilati, S., Draxl, C., Kuban, M., Rigamonti, S., Scheidgen, M., Esters, M., Hicks, D., Toher, C., Balachandran, P. V., Tamblyn, I., Whitelam, S., Bellinger, C., Ghiringhelli, L. M.
مصطلحات موضوعية: machine learning, electronic structure, computational materials science, density-functional theory, ddc:530
وصف الملف: 60 S.; application/pdf
العلاقة: https://refubium.fu-berlin.de/handle/fub188/36265Test; http://dx.doi.org/10.17169/refubium-35981Test
الإتاحة: https://doi.org/10.17169/refubium-35981Test
https://doi.org/10.1088/2516-1075/ac572fTest
https://refubium.fu-berlin.de/handle/fub188/36265Test -
6دورية أكاديمية
المؤلفون: Menden, MP, Wang, D, Mason, MJ, Szalai, B, Bulusu, KC, Guan, YF, Yu, T, Kang, J, Jeon, M, Wolfinger, R, Nguyen, T, Zaslavskiy, M, Jang, IS, Ghazoui, Z, Ahsen, ME, Vogel, R, Neto, EC, Norman, T, Tang, EKY, Garnett, MJ, Di Veroli, GY, Fawell, S, Stolovitzky, G, Guinney, J, Dry, JR, Saez-Rodriguez, J, Abante, J, Abecassis, BS, Aben, N, Aghamirzaie, D, Aittokallio, T, Akhtari, FS, Al-lazikani, B, Alam, T, Allam, A, Allen, C, de Almeida, MP, Altarawy, D, Alves, V, Amadoz, A, Anchang, B, Antolin, AA, Ash, JR, Aznar, VR, Ba-alawi, W, Bagheri, M, Bajic, V, Ball, G, Ballester, PJ, Baptista, D, Bare, C, Bateson, M, Bender, A, Bertrand, D, Wijayawardena, B, Boroevich, KA, Bosdriesz, E, Bougouffa, S, Bounova, G, Brouwer, T, Bryant, B, Calaza, M, Calderone, A, Calza, S, Capuzzi, S, Carbonell-Caballero, J, Carlin, D, Carter, H, Castagnoli, L, Celebi, R, Cesareni, G, Chang, H, Chen, GC, Chen, HR, Chen, HY, Cheng, LJ, Chernomoretz, A, Chicco, D, Cho, KH, Cho, S, Choi, D, Choi, J, Choi, K, Choi, M, De Cock, M, Coker, E, Cortes-Ciriano, I, Cserzo, M, Cubuk, C, Curtis, C, Van Daele, D, Dang, CC, Dijkstra, T, Dopazo, J, Draghici, S, Drosou, A, Dumontier, M, Ehrhart, F, Eid, FE, ElHefnawi, M, Elmarakeby, H, van Engelen, B, Engin, HB, de Esch, I, Evelo, C, Falcao, AO, Farag, S, Fernandez-Lozano, C, Fisch, K, Flobak, A, Fornari, C, Foroushani, ABK, Fotso, DC, Fourches, D, Friend, S, Frigessi, A, Gao, F, Gao, XT, Gerold, JM, Gestraud, P, Ghosh, S, Gillberg, J, Godoy-Lorite, A, Godynyuk, L, Godzik, A, Goldenberg, A, Gomez-Cabrero, D, Gonen, M, de Graaf, C, Gray, H, Grechkin, M, Guimera, R, Guney, E, Haibe-Kains, B, Han, Y, Hase, T, He, D, He, LY, Heath, LS, Hellton, KH, Helmer-Citterich, M, Hidalgo, MR, Hidru, D, Hill, SM, Hochreiter, S, Hong, S, Hovig, E, Hsueh, YC, Hu, ZY, Huang, JK, Huang, RS, Hunyady, L, Hwang, J, Hwang, TH, Hwang, W, Hwang, Y, Isayev, O, Walk, OBD, Jack, J, Jahandideh, S, Ji, JD, Jo, Y, Kamola, PJ, Kanev, GK, Karacosta, L, Karimi, M, Kaski, S, Kazanov, M, Khamis, AM, Khan, SA, Kiani, NA, Kim, A, Kim, J, Kim, K, Kim, S, Kim, Y, Kirk, PDW, Kitano, H, Klambauer, G, Knowles, D, Ko, M, Kohn-Luque, A, Kooistra, AJ, Kuenemann, MA, Kuiper, M, Kurz, C, Kwon, M, van Laarhoven, T, Laegreid, A, Lederer, S, Lee, H, Lee, J, Lee, YW, Leppaho, E, Lewis, R, Li, J, Li, L, Liley, J, Lim, WK, Lin, C, Liu, YY, Lopez, Y, Low, J, Lysenko, A, Machado, D, Madhukar, N, De Maeyer, D, Malpartida, AB, Mamitsuka, H, Marabita, F, Marchal, K, Marttinen, P, Mason, D, Mazaheri, A, Mehmood, A, Mehreen, A, Michaut, M, Miller, RA, Mitsopoulos, C, Modos, D, Van Moerbeke, M, Moo, K, Motsinger-Reif, A, Movva, R, Muraru, S, Muratov, E, Mushthofa, M, Nagarajan, N, Nakken, S, Nath, A, Neuvial, P, Newton, R, Ning, Z, De Niz, C, Oliva, B, Olsen, C, Palmeri, A, Panesar, B, Papadopoulos, S, Park, J, Park, S, Pawitan, Y, Peluso, D, Pendyala, S, Peng, J, Perfetto, L, Pirro, S, Plevritis, S, Politi, R, Poon, H, Porta, E, Prellner, I, Preuer, K, Pujana, MA, Ramnarine, R, Reid, JE, Reyal, F, Richardson, S, Ricketts, C, Rieswijk, L, Rocha, M, Rodriguez-Gonzalvez, C, Roell, K, Rotroff, D, de Ruiter, JR, Rukawa, P, Sadacca, B, Safikhani, Z, Safitri, F, Sales-Pardo, M, Sauer, S, Schlichting, M, Seoane, JA, Serra, J, Shang, MM, Sharma, A, Sharma, H, Shen, Y, Shiga, M, Shin, M, Shkedy, Z, Shopsowitz, K, Sinai, S, Skola, D, Smirnov, P, Soerensen, IF, Soerensen, P, Song, JH, Song, SO, Soufan, O, Spitzmueller, A, Steipe, B, Suphavilai, C, Tamayo, SP, Tamborero, D, Tang, J, Tanoli, ZUR, Tarres-Deulofeu, M, Tegner, J, Thommesen, L, Tonekaboni, SAM, Tran, H, De Troyer, E, Truong, A, Tsunoda, T, Turu, G, Tzeng, GY, Verbeke, L, Videla, S, Vis, D, Voronkov, A, Votis, K, Wang, A, Wang, HQH, Wang, PW, Wang, S, Wang, W, Wang, XC, Wang, X, Wennerberg, K, Wernisch, L, Wessels, L, van Westen, GJP, Westerman, BA, White, SR, Willighagen, E, Wurdinger, T, Xie, L, Xie, SL, Xu, H, Yadav, B, Yau, C, Yeerna, H, Yin, JW, Yu, M, Yun, SJ, Zakharov, A, Zamichos, A, Zanin, M, Zeng, L, Zenil, H, Zhang, F, Zhang, PY, Zhang, W, Zhao, HY, Zhao, L, Zheng, WJ, Zoufir, A, Zucknick, M
المصدر: Nature communications. 10(1):2674
مصطلحات موضوعية: Medicin och hälsovetenskap, Medicinska och farmaceutiska grundvetenskaper, Farmaceutiska vetenskaper, Naturvetenskap, Data- och informationsvetenskap (Datateknik), Bioinformatik (beräkningsbiologi) (tillämpningar under 10610), Klinisk medicin, Cancer och onkologi
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7دورية أكاديمية
المؤلفون: Rzayev, F. H., Nasirov, A. M., Isayev, O. R., Gasimov, E. K.
المصدر: Advances in Biology & Earth Sciences; 2024, Vol. 9 Issue 1, p146-154, 9p
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8دورية أكاديمية
المؤلفون: Muratov, Eugene N., Amaro, R. (Rommie), Andrade, Carolina H., Brown, N. (Nathan), Ekins, S. (Sean), Fourches, D. (Denis), Isayev, O. (Olexandr), Kozakov, D. (Dima), Medina-Franco, José L., Merz, Kenneth M., Oprea, Tudor I., Poroikov, V. (Vladimir), Schneider, G. (Gisbert), Todd, Matthew H., Varnek, A. (Alexandre), Winkler, David A., Zakharov, Alexey V., Cherkasov, A. (Artem), Tropsha, A. (Alexander)
مصطلحات موضوعية: Chimie/Chemo-informatique
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9دورية أكاديمية
المؤلفون: Fronzi, M, Isayev, O, Winkler, DA, Shapter, JG, Ellis, A, Sherrell, PC, Shepelin, NA, Corletto, A, Ford, MJ
العلاقة: Fronzi, M., Isayev, O., Winkler, D. A., Shapter, J. G., Ellis, A., Sherrell, P. C., Shepelin, N. A., Corletto, A. & Ford, M. J. (2021). Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures. ADVANCED INTELLIGENT SYSTEMS, 3 (11), https://doi.org/10.1002/aisy.202100080Test.; http://hdl.handle.net/11343/283331Test
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10دورية أكاديمية
المؤلفون: Muratov, EN, Amaro, R, Andrade, CH, Brown, N, Ekins, S, Fourches, D, Isayev, O, Kozakov, D, Medina-Franco, JL, Merz, KM, Oprea, T, Poroikov, V, Schneider, G, Todd, MH, Varnek, A, Winkler, DA, Zakharov, A, Cherkasov, A, Tropsha, A
المصدر: Chemical Society Reviews (2021) (In press).
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10131777/1/d0cs01065k.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10131777Test/
النص الكامل