Results 101 to 110 of about 446,524 (307)
Molecular Graph Generation by Decomposition and Reassembling. [PDF]
ACS Omega, 2023 Yamada M, Sugiyama M.
europepmc +1 more source
Molecular Oncology, EarlyView.Pancreatic sensory neurons innervating healthy and PDAC tissue were retrogradely labeled and profiled by single‐cell RNA sequencing. Tumor‐associated innervation showed a dominant neurofilament‐positive subtype, altered mitochondrial gene signatures, and reduced non‐peptidergic neurons.
Elena Genova +14 more
wiley +1 more source
Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures
, 2020 The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge. These models improve their expressive power by incorporating auxiliary information in molecules while inevitably ...
Zhang, Shuo, Liu, Yang, Xie, Lei
openaire +2 more sources
Molecular Oncology, EarlyView.In the present work, we have identified a transcriptional signature based on the differential expression of six genes (BCL2&MAST4, HSH2D&LAT2, METRN&PITPNM2) that would facilitate the early detection of T‐cell acute lymphoblastic leukemia (T‐ALL) patients prone to a poor treatment response and could be implemented at diagnosis, along with other risk ...
Antonio Lahera +11 more
wiley +1 more source
Federated Learning of Molecular Properties With Graph Neural Networks in a Heterogeneous Setting
, 2022 Wei Zhu, Andrew Dickson White, Jiebo Luo
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Graph Polish: A Novel Graph Generation Paradigm for Molecular Optimization [PDF]
, 2021 Chaojie Ji +4 more
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CCDC80 suppresses high‐grade serous ovarian cancer migration via negative regulation of B7‐H3
Molecular Oncology, EarlyView.PAX8 is a lineage‐specific master regulator of transcription in high‐grade serous ovarian cancer (HGSC) progression. We show for the first time that PAX8 facilitates proliferation and metastasis by repressing the cell autonomous tumor suppressor CCDC80 and inducing B7‐H3 expression.
Aya Saleh +12 more
wiley +1 more source
Spherical convolutions on molecular graphs for protein model quality assessment [PDF]
, 2021 Ilia Igashov +2 more
openalex +1 more source
E2A selectively regulates TGF‐β–induced apoptosis in KRAS‐mutant non‐small cell lung cancer
Molecular Oncology, EarlyView.Ability to induce apoptosis by TGF‐β is frequently lost in advanced lung adenocarcinoma despite intact TGF‐β signaling. We identify E2A as a mutant KRAS–dependent mediator of resistance to TGF‐β–induced apoptosis. TGF‐β induces E2A via SMAD3 in mutant KRAS cells, and E2A silencing restores apoptosis and enhances radiation response in cell lines ...
Sergei Chuikov +3 more
wiley +1 more source
Application of Transformers to Chemical Synthesis
MoleculesEfficient chemical synthesis is critical for the production of organic chemicals, particularly in the pharmaceutical industry. Leveraging machine learning to predict chemical synthesis and improve the development efficiency has become a significant ...
Dong Jin +6 more
doaj +1 more source