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6 results in Keywords: Binding Affinity Prediction

Theoretical and Computational Chemistry

Working Paper

iEdgeDTA: integrated edge information and 1D graph convolutional neural networks for binding affinity prediction

Natchanon suviriyapaisal, Duangdao wichadakul

Version 1 posted 20 February 2023

293

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Theoretical and Computational Chemistry

Working Paper

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

Maciej Wójcikowski, Michał Kukiełka, Marta Stepniewska-Dziubinska, Pawel Siedlecki

Version 1 posted 28 February 2018

843

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Theoretical and Computational Chemistry

Working Paper

Predicting Binding from Screening Assays with Transformer Network Embeddings

Paul Morris, Rachel St Clair, Elan Barenholtz, William Edward Hahn

Version 1 posted 24 January 2020

1,030

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Theoretical and Computational Chemistry

Working Paper

AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using the Ensemble of 3D-Convolutional Neural Network

Yongbeom Kwon, Woong-Hee Shin, Junsu Ko, Juyong Lee

Version 1 posted 23 March 2020

848

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Citations

Theoretical and Computational Chemistry

Working Paper

LigTMap: Ligand and Structure-Based Target Identification and Activity Prediction for Small Molecular Compounds

Faraz Shaikh, Hio Kuan Tai, Nirali Desai, Shirley Siu

Version 2 posted 19 February 2021

1,064

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Citations

Biological and Medicinal Chemistry

Working Paper

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing

Jose Carlos Gómez-Tamayo, Lili Cao, Mazen Ahmad, Gary Tresadern

Version 1 posted 01 February 2024

393

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6 results in Binding Affinity Prediction in Keywords: Binding Affinity Prediction

iEdgeDTA: integrated edge information and 1D graph convolutional neural networks for binding affinity prediction

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

Predicting Binding from Screening Assays with Transformer Network Embeddings

AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using the Ensemble of 3D-Convolutional Neural Network

LigTMap: Ligand and Structure-Based Target Identification and Activity Prediction for Small Molecular Compounds

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing

6 results in Keywords: Binding Affinity Prediction