Search

Categories

Biological and Medicinal Chemistry

(2)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Keywords

Junction Tree Variational Autoencoder

Authors

2 results in Keywords: Junction Tree Variational Autoencoder

Biological and Medicinal Chemistry

JAEGER – Hunting for Antimalarials with Generative Chemistry

William Godinez, Eric Ma, Alexander Chao, Luying Pei, Peter Skewes-Cox, Stephen Canham, Jeremy Jenkins, Joseph Young, Eric Martin, Armand Guiguemde

Version 1 posted 20 July 2021

671

Downloads

Biological and Medicinal Chemistry

Discovery of VEGFR-2 Inhibitors employing Junction Tree Variational Encoder with Local Latent Space Bayesian Optimization and Gradient Ascent Exploration

Gia-Bao Truong, Thanh-An Pham, Van-Thinh To, Hoang-Son Lai Le, Phuoc-Chung Van Nguyen, The-Chuong Trinh, Tieu-Long Phan, Tuyen Ngoc Truong

Version 1 posted 15 July 2024

127

Downloads