Search

Categories

Analytical Chemistry

(1)

Biological and Medicinal Chemistry

(3)

Theoretical and Computational Chemistry

(5)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(3)

Last 3 years

(2)

Last 12 months

(1)

Keywords

Molecule Generation

Authors

5 results in Keywords: Molecule Generation

Biological and Medicinal Chemistry

MolScore: A scoring and evaluation framework for de novo drug design

Morgan Thomas, Noel M. O'Boyle, Andreas Bender, Chris de Graaf

Version 2 posted 05 March 2024

1,024

Downloads

Theoretical and Computational Chemistry

Masked Graph Modeling for Molecule Generation

Omar Mahmood, Elman Mansimov, Richard Bonneau, Kyunghyun Cho

Version 3 posted 01 April 2021

1,071

Downloads

Analytical Chemistry

GenUI: Interactive and Extensible Open Source Software Platform for De Novo Molecular Generation

Martin Šícho, Xuhan Liu, Daniel Svozil, Gerard van Westen

Version 2 posted 08 June 2021

1,125

Downloads

Biological and Medicinal Chemistry

ChemSpacE: Interpretable and Interactive Chemical Space Exploration

Yuanqi Du, Xian Liu, Nilay Shah, Shengchao Liu, Jieyu Zhang, Bolei Zhou

Version 3 posted 05 October 2022

1,508

Downloads

2

Citations

Theoretical and Computational Chemistry

Multi-Resolution Autoregressive Graph-to-Graph Translation for Molecules

Wengong Jin, Regina Barzilay, Tommi S Jaakkola

Version 1 posted 13 June 2019

1,272

Downloads

3

Citations