Sökresultat - "Molecular graph"

Comprehensive Analysis of Masking Techniques in Molecular Graph Representation Learning

Koo, B., Kwon, S.

Hierarchical Molecular Structure Network with Co-attention Mechanism for Drug-Drug Interaction Prediction

Luo, Yue, Deng, Lei

2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

Advances in Molecular Graph Generation: Unraveling Symmetry and Ensuring Connectivity

Omrani, Mohamed Amine, Naanaa, Wady

2024 IEEE/ACS 21st International Conference on Computer Systems and Applications (AICCSA)

Learning of Molecular Graphs in Toxicity Prediction

HUANG, YUTING, PENG, DUNLU, WANG, DEBBY D.

2024 International Conference on Machine Learning and Cybernetics (ICMLC)

MXene Property Prediction via Graph Contrastive Learning

Vertina, Eric Warnemunde, Sutherland, Emily, Deskins, N. Aaron, Mangoubi, Oren

2024 IEEE 14th International Conference Nanomaterials: Applications & Properties (NAP)

Effective Entry-Wise Flow for Molecule Generation

Zhang, Qifan, Yao, Junjie, Yang, Yuquan, Shi, Yizhou, Gao, Wei, Wang, Xiaoling

2024 IEEE 40th International Conference on Data Engineering (ICDE)

A Property-Guided Diffusion Model For Generating Molecular Graphs

Ma, Changsheng, Guo, Taicheng, Yang, Qiang, Chen, Xiuying, Gao, Xin, Liang, Shangsong, Chawla, Nitesh, Zhang, Xiangliang

ICASSP 2024 - 2024 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)

GraphCL-DTA: A Graph Contrastive Learning With Molecular Semantics for Drug-Target Binding Affinity Prediction

Yang, X., Yang, G., Chu, J.

Drug Sensitivity Prediction Based on Multi-stage Multi-modal Drug Representation Learning

Song, Jinmiao, Wei, Mingjie^{Aff2, Aff3, Aff4, IDs12539024006681_cor1}, Zhao, Shuang^{Aff2, Aff3, Aff4}, Zhai, Hui, Dai, Qiguo^{Aff2, Aff3, Aff4}, Duan, Xiaodong^{Aff2, Aff3, Aff4, IDs12539024006681_cor2}

QMGBP-DL: a deep learning and machine learning approach for quantum molecular graph band-gap prediction

Abbassi, Outhman^{Aff1, IDs11030025111787_cor1}, Ziti, Soumia

Graph Neural Network Integrating Self-Supervised Pretraining for Precise and Interpretable Prediction of Micropollutant Treatability by HO•‑Based Advanced Oxidation Processes

Zhu, Jingyi, Huang, Yuanxi, Bu, Lingjun, Wu, Yangtao, Zhou, Shiqing

Has Artificial Intelligence Impacted Drug Discovery?

Patronov, Atanas^Aff3, Papadopoulos, Kostas^Aff3, Engkvist, Ola^Aff3

Heifetz, Alexander^Aff2, Walker, John M.^Aff1

A Distribution Preserving Model for Molecular Graph Generation

Ma, Changsheng, Yang, Qiang, Liang, Shangsong, Gao, Xin

2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

XG-DTA: Drug-Target Affinity Prediction Based on Drug Molecular Graph and Protein Sequence combined with XLNet

Zhou, Han, Shi, Xiumin, Wang, Yuxiang, Wen, Ziyang, Peng, Jiaqi

2023 IEEE International Conference on Medical Artificial Intelligence (MedAI)

Graph Neural Networks for Drug Discovery: An Integrated Decision Support Pipeline

Bongini, Pietro

2023 IEEE International Conference on Metrology for eXtended Reality, Artificial Intelligence and Neural Engineering (MetroXRAINE)

Enhancing Model Learning and Interpretation using Multiple Molecular Graph Representations for Compound Property and Activity Prediction

Kengkanna, Apakorn, Ohue, Masahito

2023 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)

Topological Indices of Vemurafenib for the Cure of Melanoma Cancer

Shalini, Arul Jeya^Aff4, Ramya, R.^Aff4

Rajasingh, Indra, editor^Aff1, Mary Arul, Sharmila, editor^Aff2, Grace Thomas, Diana, editor^Aff3

Invited Paper: Application of Physics-Based and Data-Driven Approaches for Drug-Like Property Prediction

Arul Murugan, Natarajan^Aff33, Narahari Sastry, Garikapati^{Aff33, Aff34}

Goos, Gerhard, Series Editor^{Aff1, Aff20}, Hartmanis, Juris, Founding Editor^{Aff2, Aff3}, van Leeuwen, Jan, Series Editor^Aff4, Hutchison, David, Editorial Board Member^Aff5, Kanade, Takeo, Editorial Board Member^Aff6, Kittler, Josef, Editorial Board Member^Aff7, Kleinberg, Jon M., Editorial Board Member^Aff8, Kobsa, Alfred, Series Editor^Aff9, Mattern, Friedemann, Editorial Board Member^Aff10, Mitchell, John C., Editorial Board Member^Aff11, Naor, Moni, Editorial Board Member^Aff12, Nierstrasz, Oscar, Series Editor^Aff13, Pandu Rangan, C., Editorial Board Member^Aff14, Sudan, Madhu, Series Editor^Aff15, Terzopoulos, Demetri, Editorial Board Member^Aff16, Tygar, Doug, Editorial Board Member^Aff17, Weikum, Gerhard, Series Editor^Aff18, Vardi, Moshe Y, Series Editor^Aff19, Bertino, Elisa, Editorial Board Member^Aff21, Gao, Wen, Editorial Board Member^Aff22, Steffen, Bernhard, Editorial Board Member^Aff23, Yung, Moti, Editorial Board Member^Aff24, Woeginger, Gerhard, Editorial Board Member^Aff25, Bramas, Quentin, editor^Aff26, Chatterjee, Bapi, editor^Aff27, Devismes, Stéphane, editor^Aff28, Egan, Malcolm, editor^Aff29, Mandal, Partha Sarathi, editor^Aff30, Mukhopadhyaya, Krishnendu, editor^Aff31, Saradhi, V. Vijaya, editor^Aff32

Heterogeneous Edge Computing for Molecular Property Prediction with Graph Convolutional Networks

Grailootanha, Mahdieh, Nunez-Yanez, Jose Luis

electronic

On Strong Metric Dimension of Cubic Carbon Crystal

Singh, Malkesh, Sharma, Sunny Kumar, Bhat, Vijay Kumar^{Aff1, IDs4081902501893y_cor1}