DeepDTA: Deep Drug-Target Binding Affinity Prediction

30 January 2018

Papers citing "DeepDTA: Deep Drug-Target Binding Affinity Prediction"

40 / 40 papers shown

Title
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models Alejandro Velez-Arce Marinka Zitnik 24 0 0 08 May 2025
Blend the Separated: Mixture of Synergistic Experts for Data-Scarcity Drug-Target Interaction Prediction Xinlong Zhai Chunchen Wang Ruijia Wang Jiazheng Kang Shujie Li B. Chen Tengfei Ma Zikai Zhou Cheng Yang C. Shi 42 0 0 20 Mar 2025
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin Ella Barkan Ibrahim Siddiqui Kevin J. Cheng Alex Golts Yoel Shoshan J. Weber Yailin Campos Mota Michal Ozery-Flato Giuseppe A. Sautto AI4CE 56 0 0 02 Feb 2025
A Cross-Field Fusion Strategy for Drug-Target Interaction Prediction Hongzhi Zhang Xiuwen Gong Shirui Pan Jia Wu Bo Du Wenbin Hu 26 3 0 23 May 2024
PLA-SGCN: Protein-Ligand Binding Affinity Prediction by Integrating Similar Pairs and Semi-supervised Graph Convolutional Network Karim Abbasi Parvin Razzaghi Amin Ghareyazi Hamid R. Rabiee 13 0 0 13 May 2024
Enhancing Acute Kidney Injury Prediction through Integration of Drug Features in Intensive Care Units Gabriel D. M. Manalu Mulomba Mukendi Christian Songhee You Hyebong Choi 18 1 0 09 Jan 2024
Towards a more inductive world for drug repurposing approaches Jesús De la Fuente Guillermo Serrano Uxía Veleiro Mikel Casals Laura Vera ... Antonio Pineda-Lucena Idoia Ochoa Silve Vicent Olivier Gevaert Mikel Hernaez 16 0 0 21 Nov 2023
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening Bowen Gao Yiran Zhou Haichuan Tan Minsi Ren Yinjun Jia Minsi Lu Jingjing Liu Wei-Ying Ma Yanyan Lan 31 9 0 10 Oct 2023
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats Wei Chen Yihui Ren Ai Kagawa Matthew R. Carbone Sam Yen-Chi Chen ... Austin R. Clyde Arvind Ramanathan R. Stevens Hubertus Van Dam D. Lu OOD 29 2 0 17 Jul 2023
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening Seokhyun Moon Sang-Yeon Hwang Jaechang Lim Woo Youn Kim 11 12 0 03 Jul 2023
Otter-Knowledge: benchmarks of multimodal knowledge graph representation learning from different sources for drug discovery Hoang Thanh Lam M. Sbodio Marcos Martínez Galindo Mykhaylo Zayats Raúl Fernández-Díaz Víctor Valls Gabriele Picco Cesar Berrospi Ramis V. López 16 8 0 22 Jun 2023
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong Wen-bing Huang Yang Liu 22 13 0 02 Jun 2023
ResDTA: Predicting Drug-Target Binding Affinity Using Residual Skip Connections Partho Ghosh M. Haque 8 1 0 20 Mar 2023
Improving group robustness under noisy labels using predictive uncertainty Dongpin Oh Dae Lee Jeunghyun Byun Bonggun Shin UQCV 23 3 0 14 Dec 2022
Predicting Protein-Ligand Binding Affinity with Equivariant Line Graph Network Yi Yi Xu Wan Kangfei Zhao Ou-Yang Le Pei-Ying Zhao 24 1 0 27 Oct 2022
An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries Aryan Pedawi P. Gniewek Chao-Ling Chang Brandon M. Anderson H. V. D. Bedem 34 5 0 19 Oct 2022
A biologically-inspired multi-modal evaluation of molecular generative machine learning E. Vinogradova Abay Artykbayev Alisher Amanatay Mukhamejan Karatayev Maxim Mametkulov ... K. Pats Rustam Zhumagambetov Ferdinand Molnár Vsevolod A. Peshkov S. Fazli ELM 20 0 0 20 Aug 2022
Contrastive Representation Learning for 3D Protein Structures Pedro Hermosilla Timo Ropinski 3DV 46 51 0 31 May 2022
Associative Learning Mechanism for Drug-Target Interaction Prediction Zhiqin Zhu Zheng Yao Guanqiu Qi Neal Mazur Baisheng Cong OOD 14 30 0 24 May 2022
Multi-Scale Representation Learning on Proteins Vignesh Ram Somnath Charlotte Bunne Andreas Krause 32 91 0 04 Apr 2022
Learning Neural Set Functions Under the Optimal Subset Oracle Zijing Ou Tingyang Xu Qinliang Su Yingzhen Li P. Zhao Yatao Bian BDL 18 9 0 03 Mar 2022
Learning to Discover Medicines T. Nguyen Thin Nguyen T. Tran 32 1 0 14 Feb 2022
Deep Graph Convolutional Network and LSTM based approach for predicting drug-target binding affinity Shrimon Mukherjee Madhusudan Ghosh Partha Basuchowdhuri 19 28 0 18 Jan 2022
Mitigating cold start problems in drug-target affinity prediction with interaction knowledge transferring T. Nguyen Thin Nguyen T. Tran 8 14 0 16 Jan 2022
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks C. Knutson Mridula Bontha Jenna A. Bilbrey Neeraj Kumar 22 34 0 30 Nov 2021
Exploration of Dark Chemical Genomics Space via Portal Learning: Applied to Targeting the Undruggable Genome and COVID-19 Anti-Infective Polypharmacology Tian Cai Li Xie Muge Chen Yang Liu Di He Shuo-feng Zhang C. Mura P. Bourne Lei Xie OOD 21 4 0 23 Nov 2021
CSI: Contrastive Data Stratification for Interaction Prediction and its Application to Compound-Protein Interaction Prediction A. Kalia Dilip Krishnan Soha Hassoun Tufts University 21 2 0 18 Nov 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 126 302 0 07 Oct 2021
Molformer: Motif-based Transformer on 3D Heterogeneous Molecular Graphs Fang Wu Dragomir R. Radev Huabin Xing ViT 36 54 0 04 Oct 2021
Compact representations of convolutional neural networks via weight pruning and quantization Giosuè Cataldo Marinò A. Petrini D. Malchiodi Marco Frasca MQ 21 4 0 28 Aug 2021
Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity Shuangli Li Jingbo Zhou Tong Xu Liang Huang Fan Wang Haoyi Xiong Weili Huang Dejing Dou Hui Xiong MLAU 27 165 0 21 Jul 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 27 272 0 17 Jun 2021
A Novel Framework Integrating AI Model and Enzymological Experiments Promotes Identification of SARS-CoV-2 3CL Protease Inhibitors and Activity-based Probe F. Hu Lei Wang Yishen Hu Dongqi Wang Weijie Wang J. Jiang Nan Li P. Yin 14 11 0 29 May 2021
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Kexin Huang Tianfan Fu Wenhao Gao Yue Zhao Yusuf Roohani J. Leskovec Connor W. Coley Cao Xiao Jimeng Sun Marinka Zitnik OOD LM&MA 33 261 0 18 Feb 2021
Distance-aware Molecule Graph Attention Network for Drug-Target Binding Affinity Prediction Jingbo Zhou Shuangli Li Liang Huang Haoyi Xiong Fan Wang Tong Xu Hui Xiong Dejing Dou GNN 26 12 0 17 Dec 2020
Drug discovery with explainable artificial intelligence José Jiménez-Luna F. Grisoni G. Schneider 30 625 0 01 Jul 2020
DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction Kexin Huang Tianfan Fu Lucas Glass Marinka Zitnik Cao Xiao Jimeng Sun VLM 19 17 0 19 Apr 2020
DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction Xuan Lin 41 55 0 31 Mar 2020
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts Mostafa Karimi Di Wu Zhangyang Wang Yang Shen 27 46 0 29 Dec 2019
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences Xuesu Xiao Jongsoo Keum Mohamed Suhail 19 411 0 06 Nov 2018