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Found 3 papers, 1 papers with code
Molecular Property Prediction by Semantic-invariant Contrastive Learning
Contrastive learning have been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery.
Activity Cliff Prediction: Dataset and Benchmark
In this paper, we first introduce ACNet, a large-scale dataset for AC prediction.
Can Pre-trained Models Really Learn Better Molecular Representations for AI-aided Drug Discovery?
Self-supervised pre-training is gaining increasingly more popularity in AI-aided drug discovery, leading to more and more pre-trained models with the promise that they can extract better feature representations for molecules.
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