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Deep Learning Methods for Small Molecule Drug Discovery: A Survey
v1v2 (latest)

Deep Learning Methods for Small Molecule Drug Discovery: A Survey

IEEE Transactions on Artificial Intelligence (IEEE TAI), 2023
1 March 2023
Wenhao Hu
Yingying Liu
Xuanyu Chen
Wenhao Chai
Hangyue Chen
Hongwei Wang
Gaoang Wang
ArXiv (abs)PDFHTMLHuggingFace (1 upvotes)Github

Papers citing "Deep Learning Methods for Small Molecule Drug Discovery: A Survey"

7 / 7 papers shown
Taming Identity Consistency and Prompt Diversity in Diffusion Models via Latent Concatenation and Masked Conditional Flow Matching
Taming Identity Consistency and Prompt Diversity in Diffusion Models via Latent Concatenation and Masked Conditional Flow MatchingIEEE Transactions on Artificial Intelligence (IEEE TAI), 2024
Aditi Singhania
Arushi Jain
Krutik Malani
Riddhi Dhawan
Souymodip Chakraborty
Vineet Batra
Ankit Phogat
DiffM
167
12
0
11 Nov 2025
Structure-Aware Compound-Protein Affinity Prediction via Graph Neural Network with Group Lasso Regularization
Structure-Aware Compound-Protein Affinity Prediction via Graph Neural Network with Group Lasso Regularization
Zanyu Shi
Yang Wang
P. Weerawarna
Jie Zhang
Timothy W. Richardson
Yijie Wang
Kun Huang
187
0
0
04 Jul 2025
Advancements in Molecular Property Prediction: A Survey of Single and
  Multimodal Approaches
Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches
Tanya Liyaqat
T. Ahmad
Chandni Saxena
304
12
0
18 Aug 2024
Revisiting the Disequilibrium Issues in Tackling Heart Disease
  Classification Tasks
Revisiting the Disequilibrium Issues in Tackling Heart Disease Classification Tasks
Thao Hoang
Linh Nguyen
Khoi Do
Duong Nguyen
Viet Dung Nguyen
260
2
0
19 Jul 2024
Expressivity and Generalization: Fragment-Biases for Molecular GNNs
Expressivity and Generalization: Fragment-Biases for Molecular GNNs
Tom Wollschlager
Niklas Kemper
Leon Hetzel
Johanna Sommer
Stephan Günnemann
386
14
0
12 Jun 2024
A Review on Fragment-based De Novo 2D Molecule Generation
A Review on Fragment-based De Novo 2D Molecule Generation
Sergei Voloboev
VLM
329
5
0
08 May 2024
Empowering Molecule Discovery for Molecule-Caption Translation with
  Large Language Models: A ChatGPT Perspective
Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT PerspectiveIEEE Transactions on Knowledge and Data Engineering (TKDE), 2023
Jiatong Li
Yunqing Liu
Wenqi Fan
Xiao Wei
Hui Liu
Shucheng Zhou
Qing Li
215
140
0
11 Jun 2023
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