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Motivation Adverse drug–drug interactions (DDIs) are crucial for drug research and mainly cause morbidity and mortality. Thus, the identification of potential DDIs is essential for doctors, patients, and the society. Existing traditional machine learning models rely heavily on handcraft features and lack generalization. Recently, the deep learning approaches that can automatically learn drug features from the molecular graph or drug-related network have improved the ability of computational models to predict unknown DDIs. However, previous works utilized large labeled data and merely considered the structure or sequence information of drugs without considering the relations or topological information between drug and other biomedical objects (e.g., gene, disease, and pathway), or considered knowledge graph (KG) without considering the information from the drug molecular structure. Results Accordingly, to effectively explore the joint effect of drug molecular structure and semantic information of drugs in knowledge graph for DDI prediction, we propose a multi-scale feature fusion deep learning model named MUFFIN. MUFFIN can jointly learn the drug representation based on both the drug-self structure information and the KG with rich bio-medical information. In MUFFIN, we designed a bi-level cross strategy that includes cross- and scalar-level components to fuse multi-modal features well. MUFFIN can alleviate the restriction of limited labeled data on deep learning models by crossing the features learned from large-scale KG and drug molecular graph. We evaluated our approach on three datasets and three different tasks including binary-class, multi-class, and multi-label DDI prediction tasks. The results showed that MUFFIN outperformed other state-of-the-art baselines. Availability The source code and data are available at https://github.com/xzenglab/MUFFIN. Supplementary information Supplementary data are available at Bioinformatics online.

Cell-like P systems with symport/antiport rules are computing models inspired by the conservation law, in the sense that they compute by changing the places of objects with respect to the membranes, and not by changing the objects themselves. In this work, a variant of these kinds of membrane systems, called cell-like P systems with evolutional symport/antiport rules, where objects can evolve in the execution of such rules, is introduced. Besides, inspired by the autopoiesis process (ability of a system to maintain itself), membrane creation rules are considered as an efficient mechanism to provide an exponential workspace in terms of membranes. The presumed efficiency of these computing models (ability to solve computationally hard problems in polynomial time and uniform way) is explored. Specifically, an efficient solution to the SAT problem is provided by means of a family of recognizer cell-like P systems with evolutional symport/antiport rules and membrane creation which make use of communication rules involving a restricted number of objects.

Deep generative models have been an upsurge in the deep learning community since they were proposed. These models are designed for generating new synthetic data including images, videos and texts by fitting the data approximate distributions. In the last few years, deep generative models have shown superior performance in drug discovery especially de novo molecular design. In this study, deep generative models are reviewed to witness the recent advances of de novo molecular design for drug discovery. In addition, we divide those models into two categories based on molecular representations in silico. Then these two classical types of models are reported in detail and discussed about both pros and cons. We also indicate the current challenges in deep generative models for de novo molecular design. De novo molecular design automatically is promising but a long road to be explored.

The biomedical literature is growing rapidly, and the extraction of meaningful information from the large amount of literature is increasingly important. Biomedical named entity (BioNE) identification is one of the critical and fundamental tasks in biomedical text mining. Accurate identification of entities in the literature facilitates the performance of other tasks. Given that an end-to-end neural network can automatically extract features, several deep learning-based methods have been proposed for BioNE recognition (BioNER), yielding state-of-the-art performance. In this review, we comprehensively summarize deep learning-based methods for BioNER and datasets used in training and testing. The deep learning methods are classified into four categories: single neural network-based, multitask learning-based, transfer learning-based and hybrid model-based methods. They can be applied to BioNER in multiple domains, and the results are determined by the dataset size and type. Lastly, we discuss the future development and opportunities of BioNER methods.

Membrane fission is a process by which a biological membrane is split into two new ones in the manner that the content of the initial membrane is separated and distributed between the new membranes. Inspired by this biological phenomenon, membrane separation rules were considered in membrane computing. In this work, we investigate cell‐like P systems with symport/antiport rules and membrane separation rules from a computational complexity perspective. Specifically, we establish a limit on the efficiency of such P systems which use communication rules of length at most two, and we prove the computational efficiency of this kind of models when using communication rules of length at most three. Hence, a sharp borderline between tractability and NP–hardness is provided in terms of the length of communication rules. © 2015 Wiley Periodicals, Inc. Complexity 21: 321–334, 2016

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