Results 51 to 60 of about 11,611,859 (368)
Graph Networks for Molecular Design [PDF]
Machine Learning: Science and Technology, 2020 Deep learning methods applied to chemistry can be used to accelerate the discovery of new molecules. This work introduces GraphINVENT, a platform developed for graph-based molecular design using graph neural networks (GNNs). GraphINVENT uses a tiered deep neural network architecture to probabilistically generate new molecules a single bond at a time ...
Günter Klambauer +8 more
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Molecules, 2019 A major goal in the discovery of bioactive natural products is to rapidly identify active compound(s) and dereplicate known molecules from complex biological extracts. The conventional bioassay-guided fractionation process can be time consuming and often
Tongchai Saesong +8 more
doaj +1 more source
Frontiers in Oncology, 2021 RNA-binding motif protein 8A (RBM8A) is abnormally overexpressed in hepatocellular carcinoma (HCC) and involved in the epithelial-mesenchymal transition (EMT).
Rong Liang +8 more
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The Molecular Design Research Network [PDF]
Toxicological Sciences, 2017 Herein, we provide an overview of a research network that is aimed at fostering interdisciplinary collaboration between chemists and toxicologists with the goal of rationally designing safer commercial chemicals. The collaborative is the Molecular Design Research Network (MoDRN) that was created in 2013 with funding from the EPA-National Science ...
Suzanne M. Nesmith +21 more
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Identification of control targets in Boolean molecular network models via computational algebra [PDF]
BMC Systems Biology, 2015 BackgroundMany problems in biomedicine and other areas of the life sciences can be characterized as control problems, with the goal of finding strategies to change a disease or otherwise undesirable state of a biological system into another, more ...
semanticscholar +1 more source
Molecular Dynamics Simulation of Vascular Network Formation
, 2009 Endothelial cells are responsible for the formation of the capillary blood vessel network. We describe a system of endothelial cells by means of two-dimensional molecular dynamics simulations of point-like particles.
Buttà, Paolo +3 more
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Frontiers in Plant Science, 2023 IntroductionIn contrast to the dynamics observed in plant/pathogen interactions, endophytic fungi have the capacity to establish enduring associations within their hosts, leading to the development of a mutually beneficial relationship that relies on ...
Leonie Pellissier +21 more
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Does drying affect gel networks? [PDF]
, 2018 The properties of low molecular weight gels are determined by the underlying, self-assembled network. To access information on the network, it is common for techniques to be used that require the gel to be dried, such as transmission electron microscopy ...
Adams, Dave J.
core +2 more sources
The prevalence of CRF55_01B among HIV-1 strain and its connection with traffic development in China
Emerging Microbes and Infections, 2021 CRF55_01B is a relatively “young” HIV strain. At present, we do not know much about its transmission characteristics in China. So, to describe the transmission characteristics of CRF55_01B strain among provinces and HIV infected people, and to analyze ...
Mengze Gan +7 more
doaj +1 more source
Molecular Network Analysis of the Urinary Proteome of Alzheimer's Disease Patients
Dementia and Geriatric Cognitive Disorders Extra, 2019 Background/Aims: The identification of predictive biomarkers for Alzheimer’s disease (AD) from urine would aid in screening for the disease, but information about biological and pathophysiological changes in the urine of AD patients is limited.
Yumi Watanabe +8 more
semanticscholar +1 more source