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DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening.
Hyeongwoo Kim
Kyunghoon Lee
Chansu Kim
Jaechang Lim
Woo Youn Kim
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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high throughput
virtual screening
deep learning
drug discovery
microarray
biological data
similarity searching
data acquisition
systems biology
machine learning
data analysis
binding sites
real time
pattern recognition
query processing
scoring function