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CORE: Automatic Molecule Optimization Using Copy & Refine Strategy

CORE: Automatic Molecule Optimization Using Copy & Refine Strategy

23 November 2019
Tianfan Fu
Cao Xiao
Jimeng Sun
ArXiv (abs)PDFHTML

Papers citing "CORE: Automatic Molecule Optimization Using Copy & Refine Strategy"

19 / 19 papers shown
Title
TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
Jintai Chen
Yaojun Hu
Mingchen Cai
Yingzhou Lu
Yue Wang
...
Yuqiang Li
Lucas Glass
Tianfan Fu
Marinka Zitnik
Tianfan Fu
131
0
0
30 Jun 2024
Molecule Design by Latent Space Energy-Based Modeling and Gradual
  Distribution Shifting
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
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
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
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
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
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
A Survey on Deep Graph Generation: Methods and Applications
Yanqiao Zhu
Yuanqi Du
Yinkai Wang
Yichen Xu
Jieyu Zhang
Qiang Liu
Shu Wu
3DVGNN
124
75
0
13 Mar 2022
Disentangled Spatiotemporal Graph Generative Models
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
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
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
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
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
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
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
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
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
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
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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