In silico generation of novel, drug-like chemical matter using the LSTM neural network

20 December 2017

Papers citing "In silico generation of novel, drug-like chemical matter using the LSTM neural network"

6 / 6 papers shown

Title
Multi-view deep learning based molecule design and structural optimization accelerates the SARS-CoV-2 inhibitor discovery Chao Pang Yu Wang Yi Jiang Ruheng Wang R. Su Leyi Wei 8 1 0 03 Dec 2022
Investigation of chemical structure recognition by encoder-decoder models in learning progress Katsuhisa Morita T. Mizuno Hiroyuki Kusuhara 19 8 0 24 Oct 2022
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 44 691 0 22 Nov 2018
Generating equilibrium molecules with deep neural networks Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt BDL 17 38 0 26 Oct 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
Constrained Bayesian Optimization for Automatic Chemical Design Ryan-Rhys Griffiths José Miguel Hernández-Lobato BDL 39 76 0 16 Sep 2017