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1912.05910
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CORE: Automatic Molecule Optimization Using Copy & Refine Strategy
23 November 2019
Tianfan Fu
Cao Xiao
Jimeng Sun
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Papers citing
"CORE: Automatic Molecule Optimization Using Copy & Refine Strategy"
19 / 19 papers shown
Title
TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
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Yingzhou Lu
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Yuqiang Li
Lucas Glass
Tianfan Fu
Marinka Zitnik
Tianfan Fu
131
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0
30 Jun 2024
Molecule Design by Latent Space Energy-Based Modeling and Gradual Distribution Shifting
Deqian Kong
Bo Pang
Tian Han
Ying Nian Wu
DiffM
77
7
0
09 Jun 2023
Molecule optimization via multi-objective evolutionary in implicit chemical space
Xin Xia
Yansen Su
Chunhou Zheng
Xiangxiang Zeng
77
1
0
17 Dec 2022
An open unified deep graph learning framework for discovering drug leads
Yueming Yin
Haifeng Hu
Zhen Yang
Jitao Yang
Chun Jimmie Ye
Jiansheng Wu
W. Goh
84
0
0
06 Dec 2022
Controllable Data Generation by Deep Learning: A Review
Shiyu Wang
Yuanqi Du
Xiaojie Guo
Bo Pan
Zhaohui Qin
Liang Zhao
97
28
0
19 Jul 2022
ADBench: Anomaly Detection Benchmark
Songqiao Han
Xiyang Hu
Hailiang Huang
Mingqi Jiang
Yue Zhao
OOD
111
313
0
19 Jun 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du
Tianfan Fu
Jimeng Sun
Shengchao Liu
AI4CE
185
90
0
28 Mar 2022
A Survey on Deep Graph Generation: Methods and Applications
Yanqiao Zhu
Yuanqi Du
Yinkai Wang
Yichen Xu
Jieyu Zhang
Qiang Liu
Shu Wu
3DV
GNN
124
75
0
13 Mar 2022
Disentangled Spatiotemporal Graph Generative Models
Yuanqi Du
Xiaojie Guo
Hengning Cao
Yanfang Ye
Liang Zhao
100
21
0
28 Feb 2022
Interpretable Molecular Graph Generation via Monotonic Constraints
Yuanqi Du
Xiaojie Guo
Amarda Shehu
Liang Zhao
115
19
0
28 Feb 2022
Network Representation Learning: From Preprocessing, Feature Extraction to Node Embedding
Jingya Zhou
Ling Liu
Wenqi Wei
Jianxi Fan
AI4TS
102
77
0
14 Oct 2021
Differentiable Scaffolding Tree for Molecular Optimization
Tianfan Fu
Wenhao Gao
Cao Xiao
Jacob Yasonik
Connor W. Coley
Jimeng Sun
100
78
0
22 Sep 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques
Jianyuan Deng
Zhibo Yang
Iwao Ojima
Dimitris Samaras
Fusheng Wang
AI4TS
124
113
0
09 Jun 2021
HINT: Hierarchical Interaction Network for Trial Outcome Prediction Leveraging Web Data
Tianfan Fu
Kexin Huang
Cao Xiao
Lucas Glass
Jimeng Sun
108
66
0
08 Feb 2021
Optimizing Molecules using Efficient Queries from Property Evaluations
Samuel C. Hoffman
Vijil Chenthamarakshan
Kahini Wadhawan
Pin-Yu Chen
Payel Das
99
73
0
03 Nov 2020
MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization
Tianfan Fu
Cao Xiao
Xinhao Li
Lucas Glass
Jimeng Sun
125
81
0
05 Oct 2020
Graph Polish: A Novel Graph Generation Paradigm for Molecular Optimization
Chaojie Ji
Yijia Zheng
Ruxin Wang
Yunpeng Cai
Hongyan Wu
80
18
0
14 Aug 2020
Bitcoin Transaction Forecasting with Deep Network Representation Learning
Wenqi Wei
Qi Zhang
Ling Liu
AI4TS
88
20
0
15 Jul 2020
CASTER: Predicting Drug Interactions with Chemical Substructure Representation
Kexin Huang
Cao Xiao
T. Hoang
Lucas Glass
Jimeng Sun
72
128
0
15 Nov 2019
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