Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional Encoders

Ali Oskooei
Ali Oskooei
Jannis Born
Jannis Born
Vigneshwari Subramanian
Vigneshwari Subramanian

MOLECULAR PHARMACEUTICS, pp. 4797-4806, 2019.

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Abstract:

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure in the form of a SMIL...More

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