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Recent years have witnessed the rapid accumulation of massive electronic medical records (EMRs), which highly support the intelligent medical services such as drug recommendation. However, prior arts mainly follow the traditional recommendation strategies like collaborative filtering, which usually treat individual drugs as mutually independent, while the latent interactions among drugs, e.g., synergistic or antagonistic effect, have been largely ignored. To that end, in this paper, we target at developing a new paradigm for drug package recommendation with considering the interaction effect within drugs, in which the interaction effects could be affected by patient conditions. Specifically, we first design a pre-training method based on neural collaborative filtering to get the initial embedding of patients and drugs. Then, the drug interaction graph will be initialized based on medical records and domain knowledge. Along this line, we propose a new Drug Package Recommendation (DPR) framework with two variants, respectively DPR on Weighted Graph (DPR-WG) and DPR on Attributed Graph (DPR-AG) to solve the problem, in which each the interactions will be described as signed weights or attribute vectors. In detail, a mask layer is utilized to capture the impact of patient condition, and graph neural networks (GNNs) are leveraged for the final graph induction task to embed the package. Extensive experiments on a real-world data set from a first-rate hospital demonstrate the effectiveness of our DPR framework compared with several competitive baseline methods, and further support the heuristic study for the drug package generation task with adequate performance. CCS CONCEPTS• Information systems → Data mining.

The total synthesis of 4-methylenegermine is described

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