Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Stanisław Jastrzębski"'
Autor:
Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel, Piotr Gaiński, Jacek Tabor, Igor Podolak, Paweł Morkisz, Stanisław Jastrzębski
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-14 (2024)
Abstract The prediction of molecular properties is a crucial aspect in drug discovery that can save a lot of money and time during the drug design process. The use of machine learning methods to predict molecular properties has become increasingly po
Externí odkaz:
https://doaj.org/article/3caee1fd77f348d68ae1d3c56b3c0acf
Autor:
Taro Makino, Stanisław Jastrzębski, Witold Oleszkiewicz, Celin Chacko, Robin Ehrenpreis, Naziya Samreen, Chloe Chhor, Eric Kim, Jiyon Lee, Kristine Pysarenko, Beatriu Reig, Hildegard Toth, Divya Awal, Linda Du, Alice Kim, James Park, Daniel K. Sodickson, Laura Heacock, Linda Moy, Kyunghyun Cho, Krzysztof J. Geras
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-13 (2022)
Abstract Deep neural networks (DNNs) show promise in image-based medical diagnosis, but cannot be fully trusted since they can fail for reasons unrelated to underlying pathology. Humans are less likely to make such superficial mistakes, since they us
Externí odkaz:
https://doaj.org/article/52ecbc1cae5f4d78aecf462062a6035e
Autor:
Farah E. Shamout, Yiqiu Shen, Nan Wu, Aakash Kaku, Jungkyu Park, Taro Makino, Stanisław Jastrzębski, Jan Witowski, Duo Wang, Ben Zhang, Siddhant Dogra, Meng Cao, Narges Razavian, David Kudlowitz, Lea Azour, William Moore, Yvonne W. Lui, Yindalon Aphinyanaphongs, Carlos Fernandez-Granda, Krzysztof J. Geras
Publikováno v:
npj Digital Medicine, Vol 4, Iss 1, Pp 1-11 (2021)
Abstract During the coronavirus disease 2019 (COVID-19) pandemic, rapid and accurate triage of patients at the emergency department is critical to inform decision-making. We propose a data-driven approach for automatic prediction of deterioration ris
Externí odkaz:
https://doaj.org/article/39490bddaa344a02b06a3d77ab46dd52
Autor:
Cheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski, Paweł Włodarczyk-Pruszyński, Yoshua Bengio, Marwin Segler
Publikováno v:
Journal of chemical information and modeling. 62(10)
De novo molecule design algorithms often result in chemically unfeasible or synthetically inaccessible molecules. A natural idea to mitigate this problem is to bias these algorithms toward more easily synthesizable molecules using a proxy score for s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::801c6083e906ce497a20975277c14909
https://pubmed.ncbi.nlm.nih.gov/35452226
https://pubmed.ncbi.nlm.nih.gov/35452226
Autor:
Igor Sieradzki, Andrzej J. Bojarski, Stanisław Jastrzębski, Sabina Podlewska, Damian Leśniak, Jacek Tabor
Publikováno v:
Journal of Chemical Information and Modeling. 59:4974-4992
New computational approaches for virtual screening applications are constantly being developed. However, before a particular tool is used to search for new active compounds, its effectiveness in the type of task must be examined. In this study, we co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::461cd11a70bed086a19a252b844a6cb5
https://doi.org/10.1021/acs.jcim.9b00689
https://doi.org/10.1021/acs.jcim.9b00689
Autor:
Meng Cao, Yindalon Aphinyanaphongs, Jan Witowski, Carlos Fernandez-Granda, Yiqiu Shen, Siddhant Dogra, Duo Wang, Jungkyu Park, Narges Razavian, David Kudlowitz, Krzysztof J. Geras, Yvonne W. Lui, Farah E. Shamout, Nan Wu, Lea Azour, Aakash Kaku, Stanisław Jastrzębski, William Moore, Taro Makino, Ben Zhang
Publikováno v:
ArXiv
npj Digital Medicine, Vol 4, Iss 1, Pp 1-11 (2021)
NPJ Digital Medicine
npj Digital Medicine, Vol 4, Iss 1, Pp 1-11 (2021)
NPJ Digital Medicine
During the coronavirus disease 2019 (COVID-19) pandemic, rapid and accurate triage of patients at the emergency department is critical to inform decision-making. We propose a data-driven approach for automatic prediction of deterioration risk using a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f39f3f0742be77aea34cfa88df9262d
https://europepmc.org/articles/PMC7418753/
https://europepmc.org/articles/PMC7418753/
Autor:
Paweł Włodarczyk-Pruszyński, Piotr Byrski, Paweł Dąbrowski-Tumański, Mikołaj Sacha, Mikolaj Chrominski, Mikołaj Błaż, Stanisław Jastrzębski, Rafał Loska
The central challenge in automated synthesis planning is to be able to generate and predict outcomes of a diverse set of chemical reactions. In particular, in many cases, the most likely synthesis pathway cannot be applied due to additional constrain
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c644c2b10b1cdbbb788cfc2753c53c9c
http://arxiv.org/abs/2006.15426
http://arxiv.org/abs/2006.15426
Autor:
Jacek Tabor, Andrzej J. Bojarski, Stanisław Jastrzębski, Maciej Szymczak, Sabina Podlewska, Stefan Mordalski, Agnieszka Pocha
Docking is one of the most important steps in virtual screening pipelines, and it is an established method for examining potential interactions between ligands and receptors. However, this method is computationally expensive, and it is often among th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abc87b51d735ff3556be0bd79d9a00de
https://ruj.uj.edu.pl/xmlui/handle/item/251734
https://ruj.uj.edu.pl/xmlui/handle/item/251734
Autor:
Taro Makino, Stanisław Jastrzębski, Witold Oleszkiewicz, Celin Chacko, Robin Ehrenpreis, Naziya Samreen, Chloe Chhor, Eric Kim, Jiyon Lee, Kristine Pysarenko, Beatriu Reig, Hildegard Toth, Divya Awal, Linda Du, Alice Kim, James Park, Daniel K. Sodickson, Laura Heacock, Linda Moy, Kyunghyun Cho, Krzysztof J. Geras
Deep neural networks (DNNs) show promise in image-based medical diagnosis, but cannot be fully trusted since their performance can be severely degraded by dataset shifts to which human perception remains invariant. If we can better understand the dif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b8493adbc59a6716d30fd947c613eab
Autor:
Damian Leśniak, Andrzej J. Bojarski, Jacek Tabor, Igor Sieradzki, Sabina Podlewska, Stanisław Jastrzębski
Publikováno v:
Molecular Diversity
Three-dimensional descriptors are often used to search for new biologically active compounds, in both ligand- and structure-based approaches, capturing the spatial orientation of molecules. They frequently constitute an input for machine learning-bas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7756d114ba1b30188e510c808568e973
https://doi.org/10.1007/s11030-018-9894-4
https://doi.org/10.1007/s11030-018-9894-4