Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"small molecule drug discovery"”.
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Machine learning for 3D small molecule drug discovery
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-09-16 without embargo terms
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Advancing Small Molecule Drug Discovery by Targeting Biomolecular Condensates and Evaluating Novel Chemical Scaffolds
Small molecule drugs comprise nearly 90% of global drug sales. However, existing small molecules have struggled to treat complex disease landscapes such as those found in neurodegenerative diseases, emerging viral outbreaks, and evolving drug resistance. A promising approach to develop treatments …
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Transfer learning in small-molecule drug discovery: From physics-based in-silico scores to realistic preclinical endpoints
… in the general area of machine learning (ML) for drug discovery. Attempts to learn from molecular datasets are often hindered by the low availability of labeled datapoints. In the context of drug discovery, this limitation becomes especially severe due to the high cost of collecting experimental …
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An assessment of the effects of novel anti-inflammatory compounds in cell based studies
… as potential targets for anti-inflammatory drugs. In the current study, natural SU182 and synthetic alkaloid compounds, SU331, SU432 and minor groove binder compounds AIK18/85/1 and AIK18/70 obtained from the library associated with University of Strathclyde CRUK-Small Molecule Drug …
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Relating structure and function: Discovery of novel inhibitors of myotonic dystrophy
… the relationship between the function of the drug and the structure of its target, with the aim of discovering novel therapeutics that target nucleic acid secondary structures, selectively. The structure of the expanded DNA and RNA repeats that cause myotonic dystrophy type 1 (DM1) present a …