Drug discovery involves a series of complex and time-consuming steps. The first step is drug discovery, i.e. identifying the biological target (which may be DNA, RNA, proteins) that is responsible for the development of the disease. The next step is the screening of molecules that can inter...
Although challenges remain, novel computational technologies such as deep learning and single-cell methods that better capture the biological information in images hold promise for accelerating drug discovery.This is a preview of subscription content, access via your institution ...
Discovery of drug–omics associations in type 2 diabetes with generative deep-learning models Rosa Lundbye Allesøe, Agnete Troen Lundgaard, Ricardo Hernández Medina, Alejandro Aguayo-Orozco, Joachim Johansen, Jakob Nybo Nissen, Caroline Brorsson, Gianluca Mazzoni, Lili Niu, Jorge Hern...
The development of new and improved inhaled medicines, however, presents a number of challenges that have been reviewed previously [3]. This article considers induced alveolar macrophage (AM) responses, the interpretation of which is a significant challenge for safety assessment in inhaled product ...
Access DDW whitepapers, app notes, infographics and guides on a wide variety of topics pertinent to the drug discovery and biotechnology sectors.
Interpretable Deep Learning in Drug Discovery Description of a method to a) interpret parts of a molecule that results in biological activity and b) construct pharmacophores from graph convolutional neural networks. Krenn, Hase, Nigam, Friederich, Aspuru-Guzik SELFIES: a robust representation of se...
How AWS was leveraged for various PIC discovery projects To save developer time and gain quicker insight into the particular problems surrounding machine learning development, we turned toAmazon SageMaker. Its capabilities allowed us to avoid implementing some machine learning infrastructure solutions our...
Discovery and inhibition of an interspecies gut bacterial pathway for Levodopa metabolism. Science. 2019;364(6445):eaau6323. https://doi.org/10.1126/science.aau6323. Article PubMed Google Scholar van Kessel SP, Frye AK, El-Gendy AO, Castejon M, Keshavarzian A, van Dijk G, et al. Gut...
Advances in imaging technologies and imaging probes for humans and for small animals are now extending the applications of imaging further into drug discovery and development, and have the potential to considerably accelerate the process. This review summarizes some of the recent developments in ...
natural products, e.g. the alkaloidE-7 (3, Fig.1a)12and is drug-like. For instance, compound1(GW5074) has been explored in kinase- and SIRT-inhibitor discovery13,14,15and is an established research tool16. It shows a good safety profile17and can be considered a close analog of the...