Machine learning the ropes: principles, applications and directions in synthetic chemistry von Strieth-Kalthoff, Felix, Sandfort, Frederik, Segler, Marwin H. S, Glorius, Frank

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Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks von Segler, Marwin H. S, Kogej, Thierry, Tyrchan, Christian, Waller, Mark P

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Opportunities and obstacles for deep learning in biology and medicine von Ching, Travers, Himmelstein, Daniel S., Beaulieu-Jones, Brett K., Kalinin, Alexandr A., Do, Brian T., Way, Gregory P., Ferrero, Enrico, Agapow, Paul-Michael, Zietz, Michael, Hoffman, Michael M., Xie, Wei, Rosen, Gail L., Lengerich, Benjamin J., Israeli, Johnny, Lanchantin, Jack, Woloszynek, Stephen, Carpenter, Anne E., Shrikumar, Avanti, Xu, Jinbo, Cofer, Evan M., Lavender, Christopher A., Turaga, Srinivas C., Alexandari, Amr M., Lu, Zhiyong, Harris, David J., DeCaprio, Dave, Qi, Yanjun, Kundaje, Anshul, Peng, Yifan, Wiley, Laura K., Segler, Marwin H. S., Boca, Simina M., Swamidass, S. Joshua, Huang, Austin, Gitter, Anthony, Greene, Casey S.

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Planning chemical syntheses with deep neural networks and symbolic AI von Segler, Marwin H. S., Preuss, Mike, Waller, Mark P.

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Neural‐Symbolic Machine Learning for Retrosynthesis and Reaction Prediction von Segler, Marwin H. S., Waller, Mark P.

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GuacaMol: Benchmarking Models for de Novo Molecular Design von Brown, Nathan, Fiscato, Marco, Segler, Marwin H.S, Vaucher, Alain C

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Modelling Chemical Reasoning to Predict and Invent Reactions von Segler, Marwin H. S., Waller, Mark P.

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Re-evaluating retrosynthesis algorithms with Syntheseus von Maziarz, Krzysztof, Tripp, Austin, Liu, Guoqing, Stanley, Megan, Xie, Shufang, Gaiński, Piotr, Seidl, Philipp, Segler, Marwin H S

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Artificial intelligence in drug discovery von Sellwood, Matthew A, Ahmed, Mohamed, Segler, Marwin HS, Brown, Nathan

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Discovering synthesis targets: general discussion von Anker, Andy S, Aspuru-Guzik, Alán, Bechtel, Tim, Bigi, Filippo, Briling, Ksenia R, Das, Basita, David, Nicholas, Day, Graeme M, Deringer, Volker L, Dyer, Matthew, Eardley-Brunt, Annabel, Evans, Matthew L, Evans, Rob, Franklin, Barnabas A, Ganose, Alex M, George, Janine, Goulding, Mark, Hickey, Niamh, James, Gillian, Kalikadien, Adarsh V, Kapil, Venkat, Kulik, Heather J, Kumar, Vishank, Kuttner, Christian, Lam, Erwin, Lederbauer, Magdalena, Lou, Yuchen, Martin, Jennie, Marulanda Bran, Andres, Mathea, Miriam, Pickard, Chris J, Ruscic, Branko, Ryder, Matthew R, Sabanza Gil, Victor, Schwaller, Philippe, Segler, Marwin H S, Sun, Wenhao, Tanovic, Sara, Treyde, Wojtek, Walsh, Aron, Wu, Ruiqi

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GuacaMol: Benchmarking Models for De Novo Molecular Design von Brown, Nathan, Fiscato, Marco, Marwin H S Segler, Vaucher, Alain C

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Learning to Plan Chemical Syntheses von Marwin H S Segler, Preuss, Mike, Waller, Mark P

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Modelling Chemical Reasoning to Predict Reactions von Marwin H S Segler, Waller, Mark P

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World Programs for Model-Based Learning and Planning in Compositional State and Action Spaces von Segler, Marwin H. S

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11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015 von Fechner, Uli, de Graaf, Chris, Güssregen, Stefan, Richmond, Nicola J., Shea, Joan-Emma, Mullen, Ryan, Kuhn, Hubert, Zielesny, Achim, Fraaije, Johannes (Hans), Senderowitz, Hanoch, Krotzky, Timo, Zimmermann, Markus O., Ruff, Manuel, Heidrich, Johannes, Onlia, Ionut, Exner, Thomas E., Boeckler, Frank M., Firaha, Dzmitry S., Kirchner, Barbara, Turk, Samo, Rippmann, Friedrich, Fulle, Simone, Lanig, Harald, Kibies, Patrick, Basu, Debjit, Essex, Jonathan W., Bodnarchuk, Michael S., Ross, Gregory A., Göller, Andreas H., Husch, Tamara, Balducci, Andrea, Ntie-Kang, Fidele, Ntie-Kang, Fidele, Friedrich, Nils-Ole, Sommer, Kai, Weber, Julia, Achenbach, Janosch, Mackey, Mark, Cheeseright, Tim, Renner, Gerrit, Renner, Gerrit, Schram, Jürgen, van Oeyen, Albert, Kalliokoski, Tuomo, Mbah, Chika J., Nagy, Stephan, Baker, David, Dubrucq, Karen, Koch, Oliver, Kast, Stefan M., Owen, Robert M., Omoto, Kiyoyuki, Glen, Robert, Bender, Andreas, Barrett, Ian, Firth, Mike, Cao, Qing, Warszycki, Dawid, Śmieja, Marek, Herrmann, Guido, Eigner-Pitto, Valentina, Naß, Alexandra, Kurczab, Rafał, Günther, Marcel B., Hennig, Susanne, Ansideri, Francesco, Böckler, Frank M., Nguyen, Quoc Dat, Böttcher, Saraphina, Pongratz, Tim, Kast, Stefan M., Al-Yamori, Raed, van den Broek, Karina, Mathea, Miriam, Baumann, Knut, Fan, Tai-Ping, Zoufir, Azedine, Ihlenfeldt, Wolf D., Ihlenfeldt, Wolf D., Pretzel, Jette, Waldman, Marvin, Shaikh, Neem, Garg, Prabha, Himmler, Hans-Jürgen, Jardin, Christophe, Cappel, Daniel, Krilov, Goran, Abel, Robert, Sherman, Woody, Panecka, Joanna, Jäger, Christian, Wieczorek, Vivien, Westerhoff, Lance M., Borbulevych, Oleg Y., Demuth, Hans-Ulrich, Buchholz, Mirko, Schmidt, Denis, Rickmeyer, Thomas, Mittal, Sumit, Oliveira, Tiago B.

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World Programs for Model-Based Learning and Planning in Compositional State and Action Spaces von Marwin H S Segler

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Barking up the right tree: an approach to search over molecule synthesis DAGs von Bradshaw, John, Paige, Brooks, Kusner, Matt J, Segler, Marwin H. S, Hernández-Lobato, José Miguel

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RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design von Liu, Cheng-Hao, Korablyov, Maksym, Jastrzębski, Stanisław, Włodarczyk-Pruszyński, Paweł, Bengio, Yoshua, Segler, Marwin H. S

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A Model to Search for Synthesizable Molecules von Bradshaw, John, Paige, Brooks, Kusner, Matt J, Segler, Marwin H. S, Hernández-Lobato, José Miguel

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A Generative Model For Electron Paths von Bradshaw, John, Kusner, Matt J, Paige, Brooks, Segler, Marwin H. S, Hernández-Lobato, José Miguel

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