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2410.03494
Cited By
Generative Artificial Intelligence for Navigating Synthesizable Chemical Space
4 October 2024
Wenhao Gao
Shitong Luo
Connor W. Coley
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Papers citing
"Generative Artificial Intelligence for Navigating Synthesizable Chemical Space"
10 / 10 papers shown
FRAGMENTA: End-to-end Fragmentation-based Generative Model with Agentic Tuning for Drug Lead Optimization
Yuto Suzuki
Paul Awolade
Daniel V. LaBarbera
Farnoush Banaei-Kashani
MedIm
VLM
415
1
0
25 Nov 2025
SigmaDock: Untwisting Molecular Docking With Fragment-Based SE(3) Diffusion
Alvaro Prat
Leo Zhang
Charlotte M. Deane
Yee Whye Teh
Garrett M. Morris
179
1
0
06 Nov 2025
DriftLite: Lightweight Drift Control for Inference-Time Scaling of Diffusion Models
Yinuo Ren
Wenhao Gao
Lexing Ying
Grant M. Rotskoff
Jiequn Han
255
9
0
25 Sep 2025
A Genetic Algorithm for Navigating Synthesizable Molecular Spaces
Alston Lo
Connor W. Coley
Wojciech Matusik
199
3
0
25 Sep 2025
Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
Seul Lee
Karsten Kreis
Srimukh Prasad Veccham
Meng Liu
Danny Reidenbach
Saee Paliwal
Weili Nie
Arash Vahdat
LRM
AI4CE
289
4
0
19 Sep 2025
Active Learning on Synthons for Molecular Design
Tom George Grigg
Mason Burlage
Oliver Brook Scott
Adam Taouil
Dominique Sydow
Liam Wilbraham
173
2
0
19 May 2025
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang
Jeff Guo
Lingkai Kong
R. Ramprasad
Philippe Schwaller
Yuanqi Du
Chao Zhang
306
9
0
11 May 2025
Compositional Flows for 3D Molecule and Synthesis Pathway Co-design
Tony Shen
Seonghwan Seo
Ross Irwin
Kieran Didi
Simon Olsson
Woo Youn Kim
Martin Ester
390
3
0
10 Apr 2025
GraphXForm: Graph transformer for computer-aided molecular design
Digital Discovery (DD), 2024
Jonathan Pirnay
Jan G. Rittig
Alexander B. Wolf
Martin Grohe
Jakob Burger
Alexander Mitsos
D. G. Grimm
AI4CE
528
7
0
03 Nov 2024
Generative Flows on Synthetic Pathway for Drug Design
International Conference on Learning Representations (ICLR), 2024
Seonghwan Seo
Minsu Kim
Tony Shen
Martin Ester
Jinkyoo Park
Sungsoo Ahn
Woo Youn Kim
368
19
0
06 Oct 2024
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