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of 8
pro vyhledávání: '"Steffen Hirte"'
Autor:
Vincenzo Palmacci, Steffen Hirte, Jorge Enrique Hernández González, Floriane Montanari, Johannes Kirchmair
Publikováno v:
Artificial Intelligence in the Life Sciences, Vol 5, Iss , Pp 100099- (2024)
High throughput screening (HTS) technologies allow the biological testing of hundreds of thousands of compounds per day. Typically, a substantial proportion of the initial hits obtained by HTS are artifacts caused by assay interference. Therefore, gl
Externí odkaz:
https://doaj.org/article/c09d82e891d14583a42d03d919ea9a5e
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 14, p 7747 (2022)
Methods for the pairwise comparison of 2D and 3D molecular structures are established approaches in virtual screening. In this work, we explored three strategies for maximizing the virtual screening performance of these methods: (i) the merging of hi
Externí odkaz:
https://doaj.org/article/663037dd569d4b5b87c4943ae529e7ee
Autor:
Steffen Hirte, Oliver Burk, Ammar Tahir, Matthias Schwab, Björn Windshügel, Johannes Kirchmair
Publikováno v:
Cells, Vol 11, Iss 8, p 1253 (2022)
The pregnane X receptor (PXR) regulates the metabolism of many xenobiotic and endobiotic substances. In consequence, PXR decreases the efficacy of many small-molecule drugs and induces drug-drug interactions. The prediction of PXR activators with the
Externí odkaz:
https://doaj.org/article/3f215194b85c435291d2b76239f6a0ad
Autor:
Anke Wilm, Marina Garcia de Lomana, Conrad Stork, Neann Mathai, Steffen Hirte, Ulf Norinder, Jochen Kühnl, Johannes Kirchmair
Publikováno v:
Pharmaceuticals, Vol 14, Iss 8, p 790 (2021)
In recent years, a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within their applicability domains but
Externí odkaz:
https://doaj.org/article/f44cc0a25c6a4a5abfab2fabee939e30
Publikováno v:
Biomolecules, Vol 9, Iss 2, p 43 (2019)
Natural products (NPs) remain the most prolific resource for the development of small-molecule drugs. Here we report a new machine learning approach that allows the identification of natural products with high accuracy. The method also generates simi
Externí odkaz:
https://doaj.org/article/41b109b819874b7eb91fb78bb38bcdb8
Covering: up to 2021The structural core of most small-molecule drugs is formed by a ring system, often derived from natural products. However, despite the importance of natural product ring systems in bioactive small molecules, there is still a lack
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff5c9417c8c943d032f342afa51da6b1
https://doi.org/10.1039/d2np00001f
https://doi.org/10.1039/d2np00001f
Autor:
Neann Mathai, Steffen Hirte, Johannes Kirchmair, Conrad Stork, Ulf Norinder, Anke Wilm, Jochen Kühnl, Marina Garcia de Lomana
Publikováno v:
Pharmaceuticals
Volume 14
Issue 8
Pharmaceuticals, Vol 14, Iss 790, p 790 (2021)
Volume 14
Issue 8
Pharmaceuticals, Vol 14, Iss 790, p 790 (2021)
In recent years a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within their applicability domains but,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4085e6f2a6fb201523a3a84fa5d790d5
https://hdl.handle.net/11250/2988303
https://hdl.handle.net/11250/2988303
Publikováno v:
ICDE
Motion sensing input devices like Microsoft's Kinect offer an alternative to traditional computer input devices like keyboards and mouses. Daily new applications using this interface appear. Most of them implement their own gesture detection. In our