Lv2
120 积分 2023-03-08 加入
Discovery of Novel Inhibitors Targeting Fungal Chitin Deacetylase via Virtual Screening for Plant Disease Control
17小时前
已完结
Novel 5-(Trifluoromethyl)-1,2,4-oxadiazole-Based Pyrimidin-4-ether Histone Deacetylase Inhibitors for Controlling Rust Disease: Design, Synthesis, Activity, and Structure–Activity Relationship
1天前
已完结
Molecular contrastive learning of representations via graph neural networks
10个月前
已完结
CMGN: a conditional molecular generation net to design target-specific molecules with desired properties
1年前
已完结
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning
1年前
已完结
DeepDTAF: a deep learning method to predict protein–ligand binding affinity
1年前
已完结
A point cloud-based deep learning strategy for protein–ligand binding affinity prediction
1年前
已完结
DeepPSE: Prediction of polypharmacy side effects by fusing deep representation of drug pairs and attention mechanism
2年前
已完结
toxCSM: comprehensive prediction of small molecule toxicity profiles
2年前
已完结
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism
2年前
已完结
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