Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition

17 January 2020

Papers citing "Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition"

5 / 5 papers shown

Title
Machine Learning in Python: Main developments and technology trends in data science, machine learning, and artificial intelligence S. Raschka Joshua Patterson Corey J. Nolet AI4CE 18 482 0 12 Feb 2020
Model Evaluation, Model Selection, and Algorithm Selection in Machine Learning S. Raschka 75 764 0 13 Nov 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,338 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 172 1,775 0 02 Mar 2017