Automatic identification of clinically important species by artificial intelligence-based image recognition: proof-of-concept study.

While morphological examination is the most widely used for identification in clinical laboratories, PCR-sequencing and MALDI-TOF MS are emerging technologies in more financially-competent laboratories. However, mycological expertise, molecular biologists and/or expensive equipment are needed for these. Recently, artificial intelligence (AI), especially image recognition, is being increasingly employed in medicine for fast and automated disease diagnosis.

A Statistical Physics Perspective: Understanding the Causality Behind Convolutional Neural Network Adversarial Vulnerability.

The adversarial vulnerability of convolutional neural networks (CNNs) refers to the performance degradation of CNNs under adversarial attacks, leading to incorrect decisions. However, the causes of adversarial vulnerability in CNNs remain unknown. To address this issue, we propose a unique cross-scale analytical approach from a statistical physics perspective.

ADMET property prediction via multi-task graph learning under adaptive auxiliary task selection.

It is a critical step in lead optimization to evaluate the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of drug-like compounds. Classical single-task learning (STL) has effectively predicted individual ADMET endpoints with abundant labels. Conversely, multi-task learning (MTL) can predict multiple ADMET endpoints with fewer labels, but ensuring task synergy and highlighting key molecular substructures remain challenges.

SeqNovo: De Novo Peptide Sequencing Prediction in IoMT via Seq2Seq.

In the Internet of Medical Things (IoMT), de novo peptide sequencing prediction is one of the most important techniques for the fields of disease prediction, diagnosis, and treatment. Recently, deep-learning-based peptide sequencing prediction has been a new trend. However, most popular deep learning models for peptide sequencing prediction suffer from poor interpretability and poor ability to capture long-range dependencies.

MLGL-MP: a Multi-Label Graph Learning framework enhanced by pathway interdependence for Metabolic Pathway prediction.

Motivation: During lead compound optimization, it is crucial to identify pathways where a drug-like compound is metabolized. Recently, machine learning-based methods have achieved inspiring progress to predict potential metabolic pathways for drug-like compounds. However, they neglect the knowledge that metabolic pathways are dependent on each other.

Corrigendum: NNAN: Nearest Neighbor Attention Network to Predict Drug-Microbe Associations.

[This corrects the article DOI: 10.3389/fmicb.2022.

NNAN: Nearest Neighbor Attention Network to Predict Drug-Microbe Associations.

Many drugs can be metabolized by human microbes; the drug metabolites would significantly alter pharmacological effects and result in low therapeutic efficacy for patients. Hence, it is crucial to identify potential drug-microbe associations (DMAs) before the drug administrations. Nevertheless, traditional DMA determination cannot be applied in a wide range due to the tremendous number of microbe species, high costs, and the fact that it is time-consuming.

Compound-protein interaction prediction by deep learning: Databases, descriptors and models.

The screening of compound-protein interactions (CPIs) is one of the most crucial steps in finding hit and lead compounds. Deep learning (DL) methods for CPI prediction can address intrinsic limitations of traditional HTS and virtual screening with the advantage of low cost and high efficiency. This review provides a comprehensive survey of DL-based CPI prediction.

Deep analysis and optimization of CARD antibiotic resistance gene discovery models.

Background: Identification of antibiotic resistance genes from environmental samples has been a critical sub-domain of gene discovery which is directly connected to human health. However, it is drawing extraordinary attention in recent years and regarded as a severe threat to human health by many institutions around the world. To satisfy the needs for efficient ARG discovery, a series of online antibiotic resistance gene databases have been published.

Detecting drug communities and predicting comprehensive drug-drug interactions via balance regularized semi-nonnegative matrix factorization.

Background: Because drug-drug interactions (DDIs) may cause adverse drug reactions or contribute to complex-disease treatments, it is important to identify DDIs before multiple-drug medications are prescribed. As the alternative of high-cost experimental identifications, computational approaches provide a much cheaper screening for potential DDIs on a large scale manner. Nevertheless, most of them only predict whether or not one drug interacts with another, but neglect their enhancive (positive) and depressive (negative) changes of pharmacological effects.

A unified solution for different scenarios of predicting drug-target interactions via triple matrix factorization.

Background: During the identification of potential candidates, computational prediction of drug-target interactions (DTIs) is important to subsequent expensive validation in wet-lab. DTI screening considers four scenarios, depending on whether the drug is an existing or a new drug and whether the target is an existing or a new target. However, existing approaches have the following limitations.

Predicting combinative drug pairs via multiple classifier system with positive samples only.

Background And Objective: Due to the synergistic effects of drugs, drug combination is one of the effective approaches for treating complex diseases. However, the identification of drug combinations by dose-response methods is still costly. It is promising to develop supervised learning-based approaches to predict potential drug combinations on a large scale.

TMFUF: a triple matrix factorization-based unified framework for predicting comprehensive drug-drug interactions of new drugs.

Background: A significant number of adverse drug reactions is caused by unexpected Drug-drug interactions (DDIs). The identification of DDIs becomes crucial before the co-prescription of multiple drugs is made. Such a task in clinics or in drug discovery usually requires high costs and numerous limitations, while computational approaches are able to predict potential DDIs effectively by utilizing diverse drug attributes (e.

BMCMDA: a novel model for predicting human microbe-disease associations via binary matrix completion.

Background: Human Microbiome Project reveals the significant mutualistic influence between human body and microbes living in it. Such an influence lead to an interesting phenomenon that many noninfectious diseases are closely associated with diverse microbes. However, the identification of microbe-noninfectious disease associations (MDAs) is still a challenging task, because of both the high cost and the limitation of microbe cultivation.

An Integrated Local Classification Model of Predicting Drug-Drug Interactions via Dempster-Shafer Theory of Evidence.

Drug-drug interactions (DDIs) may trigger adverse drug reactions, which endanger the patients. DDI identification before making clinical medications is critical but bears a high cost in clinics. Computational approaches, including global model-based and local model based, are able to screen DDI candidates among a large number of drug pairs by utilizing preliminary characteristics of drugs (e.

Predicting and understanding comprehensive drug-drug interactions via semi-nonnegative matrix factorization.

Background: Drug-drug interactions (DDIs) always cause unexpected and even adverse drug reactions. It is important to identify DDIs before drugs are used in the market. However, preclinical identification of DDIs requires much money and time.

Predicting binary, discrete and continued lncRNA-disease associations via a unified framework based on graph regression.

Background: In human genomes, long non-coding RNAs (lncRNAs) have attracted more and more attention because their dysfunctions are involved in many diseases. However, the associations between lncRNAs and diseases (LDA) still remain unknown in most cases. While identifying disease-related lncRNAs in vivo is costly, computational approaches are promising to not only accelerate the possible identification of associations but also provide clues on the underlying mechanism of various lncRNA-caused diseases.

OMSV enables accurate and comprehensive identification of large structural variations from nanochannel-based single-molecule optical maps.

We present a new method, OMSV, for accurately and comprehensively identifying structural variations (SVs) from optical maps. OMSV detects both homozygous and heterozygous SVs, SVs of various types and sizes, and SVs with or without creating or destroying restriction sites. We show that OMSV has high sensitivity and specificity, with clear performance gains over the latest method.

Predicting combinative drug pairs towards realistic screening via integrating heterogeneous features.

Background: Drug Combination is one of the effective approaches for treating complex diseases. However, determining combinative drug pairs in clinical trials is still costly. Thus, computational approaches are used to identify potential drug pairs in advance.

Reconstructing One-Articulated Networks with Distance Matrices.

Given a distance matrix M that represents evolutionary distances between any two species, an edge-weighted phylogenetic network N is said to satisfy M if between any pair of species, there exists a path in N with a length equal to the corresponding entry in M. In this article, we consider a special class of networks called a one-articulated network, which is a proper superset of galled trees. We show that if the distance matrix M is derived from an ultrametric one-articulated network N (i.

Failure of phylogeny inferred from multilocus sequence typing to represent bacterial phylogeny.

Although multilocus sequence typing (MLST) is highly discriminatory and useful for outbreak investigations and epidemiological surveillance, it has always been controversial whether clustering and phylogeny inferred from the MLST gene loci can represent the real phylogeny of bacterial strains. In this study, we compare the phylogenetic trees constructed using three approaches, (1) concatenated blocks of homologous sequence shared between the bacterial genomes, (2) genome single-nucleotide polymorphisms (SNP) profile and (3) concatenated nucleotide sequences of gene loci in the corresponding MLST schemes, for 10 bacterial species with >30 complete genome sequences available. Major differences in strain clustering at more than one position were observed between the phylogeny inferred using genome/SNP data and MLST for all 10 bacterial species.

GIW and InCoB are advancing bioinformatics in the Asia-Pacific.

GIW/InCoB2015 the joint 26th International Conference on Genome Informatics (GIW) and 14th International Conference on Bioinformatics (InCoB) held in Tokyo, September 9-11, 2015 was attended by over 200 delegates. Fifty-one out of 89 oral presentations were based on research articles accepted for publication in four BMC journal supplements and three other journals. Sixteen articles in this supplement and six articles in the BMC Systems Biology GIW/InCoB2015 Supplement are covered by this introduction.