Results 111 to 120 of about 455,903 (307)

Hierarchical Molecular Graph Self-Supervised Learning for property prediction. [PDF]

Commun Chem, 2023
Zang X, Zhao X, Tang B.
europepmc   +1 more source

Tiered Graph Autoencoders with PyTorch Geometric for Molecular Graphs

CoRR, 2019
Tiered latent representations and latent spaces for molecular graphs provide a simple but effective way to explicitly represent and utilize groups (e.g., functional groups), which consist of the atom (node) tier, the group tier and the molecule (graph) tier. They can be learned using the tiered graph autoencoder architecture.
openaire   +2 more sources

Developmental programmes drive cellular plasticity, disease progression and therapy resistance in lung adenocarcinoma

Molecular Oncology, EarlyView.
This study shows that lung adenocarcinomas exploit developmental branching morphogenesis to acquire a therapy resistant basal‐like tumour cell state. This process was found to be regulated by combined TP53 loss‐of‐function and type‐I interferon signalling, identifying a novel axis for biomarker and therapeutic target discovery.
Kamila J Bienkowska, Stephany Gallardo, Nur S. Zainal, Leena Arora, Matthew Ellis, Maria‐Antoinette Lopez, Judith Austine, Sai Pittla, Serena J Chee, Aiman Alzetani, Emily C Shaw, Christian H Ottensmeier, Gareth J Thomas, Christopher J Hanley   +13 more
wiley   +1 more source

An equivariant generative framework for molecular graph-structure Co-design. [PDF]

Chem Sci, 2023
Zhang Z, Liu Q, Lee CK, Hsieh CY, Chen E.   +4 more
europepmc   +1 more source

A Similarity Search Using Molecular Topological Graphs [PDF]

, 2009
Yoshifumi Fukunishi, Haruki Nakamura
openalex   +1 more source

Stimulator of interferon genes agonist augmented antitumor immunity of osimertinib in Egfr‐mutated lung cancer

Molecular Oncology, EarlyView.
Combining osimertinib with the STING agonist ADU‐S100 activates innate and adaptive immunity to overcome the non‐inflamed microenvironment of Egfr‐mutant lung cancer. This combination increases NK and CD8+ T‐cell infiltration, associated with activation of the STING‐IRF3 pathway and local immunogenic cell death.
Jun Nishimura, Tadahiro Kuribayashi, Johannes Brägelmann, Sachi Okawa, Masataka Taoka, Shunta Mori, Tomoka Nishimura, Takaaki Tanaka, Go Makimoto, Kiichiro Ninomiya, Kammei Rai, Eiki Ichihara, Ryohei Katayama, Katsuyuki Hotta, Masahiro Tabata, Yosuke Togashi, Yoshinobu Maeda, Martin L. Sos, Katsuyuki Kiura, Kadoaki Ohashi   +19 more
wiley   +1 more source

Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing. [PDF]

Nat Commun, 2023
Zhong W, Yang Z, Chen CY.
europepmc   +1 more source

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization [PDF]

, 2018
Wengong Jin, Kevin Yang, Regina Barzilay, Tommi Jaakkola   +3 more
openalex   +1 more source

Loss of IGF‐1R impairs DNA‐PKcs recruitment to chromatin leading to defective end‐joining

Molecular Oncology, EarlyView.
IGF‐1R promotes radioresistance by facilitating DNA‐PKcs recruitment to chromatin, enabling non‐homologous end‐joining (NHEJ) repair of double‐strand breaks. Inhibition or loss of IGF‐1R disrupts this recruitment to damage sites, driving compensatory reliance on microhomology‐mediated end‐joining (MMEJ) repair.
Matthew O. Ellis, Jack V. Mills, Wojciech Niedzwiedz, Valentine M. Macaulay   +3 more
wiley   +1 more source

Molecular Graph-Based Deep Learning Algorithm Facilitates an Imaging-Based Strategy for Rapid Discovery of Small Molecules Modulating Biomolecular Condensates. [PDF]

J Med Chem, 2023
Gao P, Zhang Q, Keely D, Cleveland DW, Ye Y, Zheng W, Shen M, Yu H.   +7 more
europepmc   +1 more source