4 papers · ranked by Valyu relevance
Hosein Fooladi, Steffen Hirte, Johannes Kirchmair
Today, machine learning methods are widely employed in drug discovery. However, the chronic lack of data continues to hamper their further development, validation, and application. Several modern strategies aim to mitigate the challenges associated with data scarcity by learning from data on related tasks. These…
Authors not listed
Background: Leishmania parasites cause neglected tropical diseases such as cutaneous and visceral leishmaniasis, which have limited treatment options and rising drug resistance. Protein kinases are pivotal in Leishmania biology and attractive drug targets, but their functional status in the parasite remains largely…
Norberto Sánchez-Cruz, Jose L. Medina-Franco
Motivation: The identification of protein targets of small molecules is essential for drug discovery. With the increasing amount of chemogenomic data in the public domain, multiple ligand-based models for target prediction have emerged. However, these models are generally biased by the number of known ligands for…
Matthew Lewis, Elena Chekmeneva, Stephane Camuzeaux, Caroline Sands + 11 more
Metabolomics utilising liquid chromatography mass spectrometry (LC-MS) offers biomedical researchers a powerful means of assessing and comparing human phenotypes via measurement of the metabolome in biological samples. Platforms for LC-MS-based global profiling quantify hundreds or thousands of small molecule…