Results 11 to 20 of about 33,672 (217)

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 ...
Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, Esben Jannik Bjerrum   +6 more
openaire   +1 more source

Molecular signatures of attention networks

Human Brain Mapping, 2023
Abstract Attention network theory proposes three distinct types of attention—alerting, orienting, and control—that are supported by separate brain networks and modulated by different neurotransmitters, that is, norepinephrine, acetylcholine, and dopamine.
Hanna Schindler, Philippe Jawinski, Aurina Arnatkevičiūtė, Sebastian Markett   +3 more
openaire   +2 more sources

Chemical Composition of Leaves, Stem, and Roots of Peperomia pellucida (L.) Kunth

Molecules, 2022
Peperomia pellucida is a species known in the Amazon as “erva-de-jabuti” that has been used in several therapeutic applications based on folk medicine.
Paulo Wender P. Gomes, Hugo Barretto, José Diogo E. Reis, Abraão Muribeca, Alice Veloso, Carlos Albuquerque, Andrew Teixeira, Wandson Braamcamp, Sônia Pamplona, Consuelo Silva, Milton Silva   +10 more
doaj   +1 more source

Epidemiology and Molecular Transmission Characteristics of HIV in the Capital City of Anhui Province in China

Pathogens, 2021
Hefei, Anhui province, is one of the cities in the Yangtze River Delta, where many people migrate to Jiangsu, Zhejiang and Shanghai. High migration also contributes to the HIV epidemic.
Shan Zheng, Jianjun Wu, Zhongwang Hu, Mengze Gan, Lei Liu, Chang Song, Yanhua Lei, Hai Wang, Lingjie Liao, Yi Feng, Yiming Shao, Yuhua Ruan, Hui Xing   +12 more
doaj   +1 more source

Lipidomics of Environmental Microbial Communities. II: Characterization Using Molecular Networking and Information Theory

Frontiers in Microbiology, 2021
Structurally diverse, specialized lipids are crucial components of microbial membranes and other organelles and play essential roles in ecological functioning. The detection of such lipids in the environment can reveal not only the occurrence of specific
Su Ding, Nicole J. Bale, Ellen C. Hopmans, Laura Villanueva, Laura Villanueva, Milou G. I. Arts, Stefan Schouten, Stefan Schouten, Jaap S. Sinninghe Damsté, Jaap S. Sinninghe Damsté   +9 more
doaj   +1 more source

Distribution differences in prognostic copy number alteration profiles in IDH-wild-type glioblastoma cause survival discrepancies across cohorts

Acta Neuropathologica Communications, 2019
The diagnosis and prognostication of glioblastoma (GBM) remain to be solely dependent on histopathological findings and few molecular markers, despite the clinical heterogeneity in this entity. To address this issue, we investigated the prognostic impact
Toru Umehara, Hideyuki Arita, Ema Yoshioka, Tomoko Shofuda, Daisuke Kanematsu, Manabu Kinoshita, Yoshinori Kodama, Masayuki Mano, Naoki Kagawa, Yasunori Fujimoto, Yoshiko Okita, Masahiro Nonaka, Kosuke Nakajo, Takehiro Uda, Naohiro Tsuyuguchi, Junya Fukai, Koji Fujita, Daisuke Sakamoto, Kanji Mori, Haruhiko Kishima, Yonehiro Kanemura   +20 more
doaj   +1 more source

Noise Management by Molecular Networks

PLoS Computational Biology, 2009
Fluctuations in the copy number of key regulatory macromolecules ("noise") may cause physiological heterogeneity in populations of (isogenic) cells. The kinetics of processes and their wiring in molecular networks can modulate this molecular noise. Here we present a theoretical framework to study the principles of noise management by the molecular ...
Frank J. Bruggeman, Nils Blüthgen, Hans V. Westerhoff   +2 more
openaire   +6 more sources

OSMAC Method to Assess Impact of Culture Parameters on Metabolomic Diversity and Biological Activity of Marine-Derived Actinobacteria

Marine Drugs, 2023
Actinobacteria are known for their production of bioactive specialized metabolites, but they are still under-exploited. This study uses the “One Strain Many Compounds” (OSMAC) method to explore the potential of three preselected marine-derived ...
Alexandre Le Loarer, Laurent Dufossé, Jérôme Bignon, Michel Frédérich, Allison Ledoux, Mireille Fouillaud, Anne Gauvin-Bialecki   +6 more
doaj   +1 more source

Topology of molecular interaction networks [PDF]

BMC Systems Biology, 2013
Molecular interactions are often represented as network models which have become the common language of many areas of biology. Graphs serve as convenient mathematical representations of network models and have themselves become objects of study. Their topology has been intensively researched over the last decade after evidence was found that they share
Winterbach, W. (author), Van Mieghem, P. (author), Reinders, M. (author), Wang, H. (author), De Ridder, D. (author)   +4 more
openaire   +4 more sources

Molecular ecological network analyses [PDF]

BMC Bioinformatics, 2012
AbstractBackgroundUnderstanding the interaction among different species within a community and their responses to environmental changes is a central goal in ecology. However, defining the network structure in a microbial community is very challenging due to their extremely high diversity and as-yet uncultivated status.
Ye Deng 0001, Yi-Huei Jiang, Yunfeng Yang, Zhili He, Feng Luo 0001, Jizhong Zhou   +5 more
openaire   +3 more sources