Zobrazeno 1 - 10
of 19 288
pro vyhledávání: '"A. Maziarz"'
Autor:
Maziarz, Krzysztof, Liu, Guoqing, Misztela, Hubert, Kornev, Aleksei, Gaiński, Piotr, Hoefling, Holger, Fortunato, Mike, Gupta, Rishi, Segler, Marwin
Planning and conducting chemical syntheses remains a major bottleneck in the discovery of functional small molecules, and prevents fully leveraging generative AI for molecular inverse design. While early work has shown that ML-based retrosynthesis mo
Externí odkaz:
http://arxiv.org/abs/2412.05269
Autor:
Gaiński, Piotr, Koziarski, Michał, Maziarz, Krzysztof, Segler, Marwin, Tabor, Jacek, Śmieja, Marek
Single-step retrosynthesis aims to predict a set of reactions that lead to the creation of a target molecule, which is a crucial task in molecular discovery. Although a target molecule can often be synthesized with multiple different reactions, it is
Externí odkaz:
http://arxiv.org/abs/2406.18739
Autor:
Agustina Borella
Publikováno v:
Economía Teoría y Práctica, Iss 51, Pp 233-238 (2019)
Externí odkaz:
https://doaj.org/article/f827088625c6431b93381565918d3e64
Autor:
Janusz Królikowski
Publikováno v:
Tarnowskie Studia Teologiczne. 38:87-89
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3cb87fe2a8f890d793486359aab588d
https://doi.org/10.15633/tst.38204
https://doi.org/10.15633/tst.38204
Autor:
Maziarz, Krzysztof, Tripp, Austin, Liu, Guoqing, Stanley, Megan, Xie, Shufang, Gaiński, Piotr, Seidl, Philipp, Segler, Marwin
Automated Synthesis Planning has recently re-emerged as a research area at the intersection of chemistry and machine learning. Despite the appearance of steady progress, we argue that imperfect benchmarks and inconsistent comparisons mask systematic
Externí odkaz:
http://arxiv.org/abs/2310.19796
Autor:
Tripp, Austin, Maziarz, Krzysztof, Lewis, Sarah, Segler, Marwin, Hernández-Lobato, José Miguel
Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules. While previous works have proposed algorithms to find optimal solutions for a range of metrics (e.g. shortest, lowest-
Externí odkaz:
http://arxiv.org/abs/2310.09270
Autor:
Anna Larsson, Ulrika Ericson, Daniel Jönsson, Mariam Miari, Paschalis Athanasiadis, Gabriel Baldanzi, Louise Brunkwall, Sophie Hellstrand, Björn Klinge, Olle Melander, Peter M. Nilsson, Tove Fall, Marlena Maziarz, Marju Orho-Melander
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)
Abstract Medication can affect the gut microbiota composition and function. The aim of this study was to investigate connections between use of common non-antibiotic medicines and the gut microbiota composition and function in a large Swedish cohort
Externí odkaz:
https://doaj.org/article/0e3e15c5c80a4e85b6e46a8dc63097ef
Autor:
Maziarz, Richard T.1 (AUTHOR) maziarzr@ohsu.edu, Cook, Rachel J.1 (AUTHOR)
Publikováno v:
Hematology. Dec2024, Vol. 29 Issue 1, p1-7. 7p.
Autor:
Muenkler, Hagen, Misztela, Hubert, Pikusa, Michal, Segler, Marwin, Schneider, Nadine, Maziarz, Krzysztof
Many contemporary generative models of molecules are variational auto-encoders of molecular graphs. One term in their training loss pertains to reconstructing the input, yet reconstruction capabilities of state-of-the-art models have not yet been tho
Externí odkaz:
http://arxiv.org/abs/2305.03041
Autor:
Praski, Michał
Publikováno v:
Studia Śląskie / Silesian Studies. (73):175-182
Externí odkaz:
https://www.ceeol.com/search/article-detail?id=275668