The ability of a compound to permeate across the blood-brain barrier (BBB) is a significant factor for central nervous system drug development. Thus, for speeding up the drug discovery process, it is crucial to perform high-throughput screenings to predict the BBB permeability of the candidate compounds. Although experimental methods are capable of determining BBB permeability, they are still cost-ineffective and time-consuming. To complement the shortcomings of existing methods, we present a deep learning-based multi-model framework model, called Deep-B3, to predict the BBB permeability of candidate compounds. In Deep-B3, the samples are encoded in three kinds of features, namely molecular descriptors and fingerprints, molecular graph and simplified molecular input line entry system (SMILES) text notation. The pre-trained models were built to extract latent features from the molecular graph and SMILES. These features depicted the compounds in terms of tabular data, image and text, respectively. The validation results yielded from the independent dataset demonstrated that the performance of Deep-B3 is superior to that of the state-of-the-art models. Hence, Deep-B3 holds the potential to become a useful tool for drug development. A freely available online web-server for Deep-B3 was established at http://cbcb.cdutcm.edu.cn/deepb3/, and the source code and dataset of Deep-B3 are available at https://github.com/GreatChenLab/Deep-B3.

Long non-coding RNA (lncRNA) plays important roles in a series of biological processes. The transcription of lncRNA is regulated by its promoter. Hence, accurate identification of lncRNA promoter will be helpful to understand its regulatory mechanisms. Since experimental techniques remain time consuming for gnome-wide promoter identification, developing computational tools to identify promoters are necessary. However, only few computational methods have been proposed for lncRNA promoter prediction and their performances still have room to be improved. In the present work, a convolutional neural network based model, called DeepLncPro, was proposed to identify lncRNA promoters in human and mouse. Comparative results demonstrated that DeepLncPro was superior to both state-of-the-art machine learning methods and existing models for identifying lncRNA promoters. Furthermore, DeepLncPro has the ability to extract and analyze transcription factor binding motifs from lncRNAs, which made it become an interpretable model. These results indicate that the DeepLncPro can server as a powerful tool for identifying lncRNA promoters. An open-source tool for DeepLncPro was provided at https://github.com/zhangtian-yang/DeepLncPro.

MOTIVATION: DNA N6-methyladenine (6mA) is associated with a wide range of biological processes. Since the distribution of 6mA site in the genome is non-random, accurate identification of 6mA sites is crucial for understanding its biological functions. Although experimental methods have been proposed for this regard, they are still cost-ineffective for detecting 6mA site in genome-wide scope. Therefore, it is desirable to develop computational methods to facilitate the identification of 6mA site. RESULTS: In this study, a computational method called i6mA-Pred was developed to identify 6mA sites in the rice genome, in which the optimal nucleotide chemical properties obtained by the using feature selection technique were used to encode the DNA sequences. It was observed that the i6mA-Pred yielded an accuracy of 83.13% in the jackknife test. Meanwhile, the performance of i6mA-Pred was also superior to other methods. AVAILABILITY AND IMPLEMENTATION: A user-friendly web-server, i6mA-Pred is freely accessible at http://lin-group.cn/server/i6mA-Pred.