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Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection Jalencas, Xavier; Berg, Hannes; Espeland, Ludvik Olai; Sreeramulu, Sridhar; Kinnen, Franziska; Richter, Christian; Georgiou, Charis; Yadrykhinsky, Vladyslav; Specker, Edgar; Jaudzems, Kristaps; Miletic, Tanja; Harmel, Robert; Gribbon, Phil; Schwalbe, Harald; Brenk, Ruth; Jirgensons, Aigars; Zaliani, Andrea; Mestres, Jordi 分享 收藏
In silico approaches in carcinogenicity hazard assessment: case study of pregabalin, a nongenotoxic mouse carcinogen Keller, Douglas A.; Bassan, Arianna; Amberg, Alexander; Burns Naas, Leigh Ann; Chambers, Jon; Cross, Kevin; Hall, Frances; Jahnke, Gloria D.; Luniwal, Amarjit; Manganelli, Serena; Mestres, Jordi; Mihalchik-Burhans, Amy L.; Woolley, David; Tice, Raymond R. 分享 收藏
A multiscale orchestrated computational framework to reveal emergent phenomena in neuroblastoma Borau, C.; Wertheim, K. Y.; Hervas-Raluy, S.; Sainz-DeMena, D.; Walker, D.; Chisholm, R.; Richmond, P.; Varella, V.; Viceconti, M.; Montero, A.; Gregori-Puigjane, E.; Mestres, J.; Kasztelnik, M.; Garcia-Aznar, J. M. 分享 收藏
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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds 化学信息学和人工智能学术讨论会: 开发生物活性化合物的进展和挑战 Bajorath, Juergen; Chavez-Hernandez, Ana L. L.; Duran-Frigola, Miquel; Fernandez-de Gortari, Eli; Gasteiger, Johann; Lopez-Lopez, Edgar; Maggiora, Gerald M. M.; Medina-Franco, Jose L.; Mendez-Lucio, Oscar; Mestres, Jordi; Miranda-Quintana, Ramon Alain; Oprea, Tudor I. I.; Plisson, Fabien; Prieto-Martinez, Fernando D. D.; Rodriguez-Perez, Raquel; Rondon-Villarreal, Paola; Saldivar-Gonzalez, Fernanda I. I.; Sanchez-Cruz, Norberto; Valli, Marilia 分享 收藏
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Principles and procedures for assessment of acute toxicity incorporating in silico methods Zwickl, Craig M.; Graham, Jessica C.; Jolly, Robert A.; Bassan, Arianna; Ahlberg, Ernst; Amberg, Alexander; Anger, Lennart T.; Beilke, Lisa; Bellion, Phillip; Brigo, Alessandro; Burleigh-Flayer, Heather; Cronin, Mark T. D.; Devlin, Amy A.; Fish, Trevor; Glowienke, Susanne; Gromek, Kamila; Karmaus, Agnes L.; Kemper, Ray; Kulkarni, Sunil; Lo Piparo, Elena; Madia, Federica; Martin, Matthew; Masuda-Herrera, Melisa; Mcatee, Britt L.; Mestres, Jordi; Milchak, Lawrence; Moudgal, Chandrika; Mumtaz, Moiz; Muster, Wolfgang; Neilson, Louise; Patlewicz, Grace; Paulino, Alexandre; Roncaglioni, Alessandra; Ruiz, Patricia; Szabo, David T.; Valentin, Jean-Pierre; Vardakou, Ioanna; Woolley, David; Myatt, Glenn J. 分享 收藏
Environmental levels of carbaryl impair zebrafish larvae behaviour: The potential role of ADRA2B and HTR2B Faria, Melissa; Bellot, Marina; Bedrossiantz, Juliette; Rosas Ramirez, Jonathan Ricardo; Prats, Eva; Garcia-Reyero, Natalia; Gomez-Canela, Cristian; Mestres, Jordi; Rovira, Xavier; Barata, Carlos; Gomez Olivan, Leobardo Manuel; Llebaria, Amadeu; Raldua, Demetrio 分享 收藏
Rare Variation in Drug Metabolism and Long QT Genes and the Genetic Susceptibility to Acquired Long QT Syndrome Gray, Belinda; Baruteau, Alban-Elouen; Antolin, Albert A.; Pittman, Alan; Sarganas, Giselle; Molokhia, Mariam; Blom, Marieke T.; Bastiaenen, Rachel; Bardai, Abdenasser; Priori, Silvia G.; Napolitano, Carlo; Weeke, Peter E.; Shakir, Saad A.; Haverkamp, Wilhelm; Mestres, Jordi; Winkel, Bo; Witney, Adam A.; Chis-Ster, Irina; Sangaralingam, Ajanthah; Camm, A. John; Tfelt-Hansen, Jacob; Roden, Dan M.; Tan, Hanno L.; Garbe, Edeltraut; Sturkenboom, Miriam; Behr, Elijah R. 分享 收藏
A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research Zahoranszky-Kohalmi, Gergely; Siramshetty, Vishal B.; Kumar, Praveen; Gurumurthy, Manideep; Grillo, Busola; Mathew, Biju; Metaxatos, Dimitrios; Backus, Mark; Mierzwa, Tim; Simon, Reid; Grishagin, Ivan; Brovold, Laura; Mathe, Ewy A.; Hall, Matthew D.; Michael, Samuel G.; Godfrey, Alexander G.; Mestres, Jordi; Jensen, Lars J.; Oprea, Tudor, I 分享 收藏
In silico approaches in carcinogenicity hazard assessment: Current status and future needs Tice, Raymond R.; Bassan, Arianna; Amberg, Alexander; Anger, Lennart T.; Beal, Marc A.; Bellion, Phillip; Benigni, Romualdo; Birmingham, Jeffrey; Brigo, Alessandro; Bringezu, Frank; Ceriani, Lidia; Crooks, Ian; Cross, Kevin; Elespuru, Rosalie; Faulkner, David M.; Fortin, Marie C.; Fowler, Paul; Frericks, Markus; Gerets, Helga H. J.; Jahnke, Gloria D.; Jones, David R.; Kruhlak, Naomi L.; Lo Piparo, Elena; Lopez-Belmonte, Juan; Luniwal, Amarjit; Luu, Alice; Madia, Federica; Manganelli, Serena; Manickam, Balasubramanian; Mestres, Jordi; Mihalchik-Burhans, Amy L.; Neilson, Louise; Pandiri, Arun; Pavan, Manuela; Rider, Cynthia V.; Rooney, John P.; Trejo-Martin, Alejandra; Watanabe-Sailor, Karen H.; White, Angela T.; Woolley, David; Myatt, Glenn J. 分享 收藏
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