Attention-based Multi-Input Deep Learning Architecture for Biological Activity Prediction: An Application in EGFR Inhibitors

12 Jun 2019Huy Ngoc PhamTrung Hoang Le

Machine learning and deep learning have gained popularity and achieved immense success in Drug discovery in recent decades. Historically, machine learning and deep learning models were trained on either structural data or chemical properties by separated model... (read more)

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Evaluation results from the paper

Task Dataset Model Metric name Metric value Global rank Compare
Drug Discovery egfr-inh Multi-input Neural network with Attention AUC 0.91 # 1