Not logged in MolAgent: Biomolecular Property Estimation in the Agentic Era Gomez-Tamayo, Jose Carlos; Tavernier, Joris; Aerts, Roy; Dyubankova, Natalia; Van Rompaey, Dries; Menon, Sairam; Steijaert, Marvin; Wegner, Jorg Kurt; Ceulemans, Hugo; Tresadern, Gary; De Winter, Hans; Ahmad, Mazen Share Save
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Toward Dose Prediction at Point of Design Van Rompaey, Dries; Chaudhuri, Siladitya Ray; Ahmad, Mazen; Cisar, Justin; van den Bergh, An; Ash, Jeremy; Wu, Zhe; Bryan, Marian C.; Edwards, James P.; Desjarlais, Renee; Wegner, Jorg Kurt; Ceulemans, Hugo; Mitra, Kaushik; Polidori, David Share Save
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MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information Heyndrickx, Wouter; Mervin, Lewis; Morawietz, Tobias; Sturm, Noe; Friedrich, Lukas; Zalewski, Adam; Pentina, Anastasia; Humbeck, Lina; Oldenhof, Martijn; Niwayama, Ritsuya; Schmidtke, Peter; Fechner, Nikolas; Simm, Jaak; Arany, Adam; Drizard, Nicolas; Jabal, Rama; Afanasyeva, Arina; Loeb, Regis; Verma, Shlok; Harnqvist, Simon; Holmes, Matthew; Pejo, Balazs; Telenczuk, Maria; Holway, Nicholas; Dieckmann, Arne; Rieke, Nicola; Zumsande, Friederike; Clevert, Djork-Arne; Krug, Michael; Luscombe, Christopher; Green, Darren; Ertl, Peter; Antal, Peter; Marcus, David; Do Huu, Nicolas; Fuji, Hideyoshi; Pickett, Stephen; Acs, Gergely; Boniface, Eric; Beck, Bernd; Sun, Yax; Gohier, Arnaud; Rippmann, Friedrich; Engkvist, Ola; Goeller, Andreas H.; Moreau, Yves; Galtier, Mathieu N.; Schuffenhauer, Ansgar; Ceulemans, Hugo Share Save
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Leveraging Cell Painting Images to Expand the Applicability Domain and Actively Improve Deep Learning Quantitative Structure-Activity Relationship Models Herman, Dorota; Kandula, Maciej M. M.; Freitas, Lorena G. A.; van Dongen, Caressa; Van, Thanh Le; Mesens, Natalie; Jaensch, Steffen; Gustin, Emmanuel; Micholt, Liesbeth; Lardeau, Charles-Hugues; Varsakelis, Christos; Reumers, Joke; Zoffmann, Sannah; Will, Yvonne; Peeters, Pieter J. J.; Ceulemans, Hugo Share Save
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Human UBN1 Is an Ortholog of Yeast Hpc2p and Has an Essential Role in the HIRA/ASF1a Chromatin-Remodeling Pathway in Senescent Cells Banumathy, Gowrishankar; Somaiah, Neeta; Zhang, Rugang; Tang, Yong; Hoffmann, Jason; Andrake, Mark; Ceulemans, Hugo; Schultz, David; Marmorstein, Ronen; Adams, Peter D. Share Save
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties Kumar, Kiran; Chupakhin, Vladimir; Vos, Ann; Morrison, Denise; Rassokhin, Dmitrii; Dellwo, Martin J.; McCormick, Keith; Paternoster, Eric; Ceulemans, Hugo; DesJarlais, Renee L. Share Save
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Tales of 1,008 small molecules: phenomic profiling through live-cell imaging in a panel of reporter cell lines Cox, Michael J.; Jaensch, Steffen; Vande Waeter, Jelle; Cougnaud, Laure; Seynaeve, Daan; Benalla, Soulaiman; Koo, Seong Joo; VanDen Wyngaert, Ilse; Neefs, Jean-Marc; Malkov, Dmitry; Bittremieux, Mart; Steemans, Margino; Peeters, Pieter J.; Wegner, Jorg Kurt; Ceulemans, Hugo; Gustin, Emmanuel; Chong, Yolanda T.; Goehlmann, Hinrich W. H. Share Save
Deep immune profiling of patients treated with lenalidomide and dexamethasone with or without daratumumab Casneuf, Tineke; Adams, Homer C., III; van de Donk, Niels W. C. J.; Abraham, Yann; Bald, Jaime; Vanhoof, Greet; Van der Borght, Koen; Smets, Tina; Foulk, Brad; Nielsen, Karl C.; Rusbuldt, Joshua; Axel, Amy; Lysaght, Andrew; Ceulemans, Hugo; Stevenaert, Frederik; Usmani, Saad Z.; Plesner, Torben; Avet-Loiseau, Herve; Nijhof, Inger; Mutis, Tuna; Schecter, Jordan M.; Chiu, Christopher; Bahlis, Nizar J. Share Save
Industry-scale application and evaluation of deep learning for drug target prediction Sturm, Noe; Mayr, Andreas; Thanh Le Van; Chupakhin, Vladimir; Ceulemans, Hugo; Wegner, Joerg; Golib-Dzib, Jose-Felipe; Jeliazkova, Nina; Vandriessche, Yves; Bohm, Stanislav; Cima, Vojtech; Martinovic, Jan; Greene, Nigel; Vander Aa, Tom; Ashby, Thomas J.; Hochreiter, Sepp; Engkvist, Ola; Klambauer, Guenter; Chen, Hongming Share Save
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Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery Simm, Jaak; Klambauer, Guenter; Arany, Adam; Steijaert, Marvin; Wegner, Jorg Kurt; Gustin, Emmanuel; Chupakhin, Vladimir; Chong, Yolanda T.; Vialard, Jorge; Buijnsters, Peter; Velter, Ingrid; Vapirev, Alexander; Singh, Shantanu; Carpenter, Anne E.; Wuyts, Roel; Hochreiter, Sepp; Moreau, Yves; Ceulemans, Hugo Share Save
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Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics (vol 9, pg 1, 2017) Sun, Jiangming; Jeliazkova, Nina; Chupakhin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming Share Save
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics Sun, Jiangming; Jeliazkova, Nina; Chupakin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming Share Save
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