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2009.07778
Cited By
Scaffold-constrained molecular generation
15 September 2020
Maxime Langevin
H. Minoux
M. Levesque
M. Bianciotto
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Papers citing
"Scaffold-constrained molecular generation"
6 / 6 papers shown
Title
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design
O. Boyar
Hiroyuki Hanada
I. Takeuchi
BDL
40
0
0
03 Nov 2024
GraphXForm: Graph transformer for computer-aided molecular design
Jonathan Pirnay
Jan G. Rittig
Alexander B. Wolf
Martin Grohe
Jakob Burger
Alexander Mitsos
D. G. Grimm
AI4CE
53
1
0
03 Nov 2024
Topology-Driven Generative Completion of Lacunae in Molecular Data
Dmitry Zubarev
Petar Ristoski
23
0
0
29 Jul 2022
Genetic Algorithm for Constrained Molecular Inverse Design
Yurim Lee
Gydam Choi
Minsug Yoon
Cheongwon Kim
29
1
0
07 Dec 2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
...
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
ELM
194
633
0
29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,338
0
12 Feb 2018
1