Transformers for molecular property prediction: Domain adaptation efficiently improves performance

Authors: Sultan, Afnan, Rausch-Dupont, Max, Khan, Shahrukh, Kalinina, Olga, Volkamer, Andrea, Klakow, Dietrich

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Computer Science - Computation and Language

Access URL: http://arxiv.org/abs/2503.03360

Transformers for molecular property prediction: Lessons learned from the past five years

Authors: Sultan, Afnan, Sieg, Jochen, Mathea, Miriam, Volkamer, Andrea

Subject Terms: Computer Science - Machine Learning, Computer Science - Computation and Language, Quantitative Biology - Quantitative Methods

Access URL: http://arxiv.org/abs/2404.03969

Dysregulation of cholesterol homeostasis in human lung cancer tissue and tumour-associated macrophages

Authors: Hoppstädter, Jessica, Dembek, Anna, Höring, Marcus, Schymik, Hanna S., Dahlem, Charlotte, Sultan, Afnan, Wirth, Natalie, Al-Fityan, Salma, Diesel, Britta, Gasparoni, Gilles, Walter, Jörn, Helms, Volkhard, Huwer, Hanno, Simon, Martin, Liebisch, Gerhard, Schulz, Marcel H., Kiemer, Alexandra K.

Source: In eBioMedicine October 2021 72

Combined QM/MM and Monte Carlo study for redox leveling in Mn and Fe superoxide dismutase

Authors: Amin, Muhamed, Mohamed, Zainab, El-Sayed, Mohamed, Samy, Asmaa, Sultan, Afnan, Bassuoni, Mahmoud, Alkordi, Mohamed H.

Source: Journal of biological inorganic chemistry. 23(2):285-293

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100124165391.0x000001&indx=1&recIds=ETOCvdc_100124165391.0x000001

A Y374X TDP43 truncation leads to an altered metabolic profile in amyotrophic lateral sclerosis fibroblasts driven by pyruvate and TCA cycle intermediate alterations.

Authors: Allen, Scott P., Al Sultan, Afnan, Kibirige, Elaine Kabucho, Tonkiss, Erin, Hamer, Keaton J., Castelli, Lydia M., Ya-Hui Lin, Roscoe, Sarah, Stefanidis, Nikolaos, Mead, Richard J., Highley, J. Robin, Cooper-Knock, Johnathan, Hautbergue, Guillaume M., Heath, Paul R., Kirby, Janine, Shaw, Pamela J.

Source: Frontiers in Aging Neuroscience; 2023, p1-13, 13p

Subject Terms: GENETICS of amyotrophic lateral sclerosis, TRICARBOXYLIC acids, KRUSKAL-Wallis Test, STATISTICS, FIBROBLASTS, SEQUENCE analysis, ANALYSIS of variance, WESTERN immunoblotting, RNA, MANN Whitney U Test, T-test (Statistics), AMYOTROPHIC lateral sclerosis, GENES, RESEARCH funding, GENE expression profiling, DESCRIPTIVE statistics, AMINO acids, DATA analysis software, DATA analysis, PHENOTYPES

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