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A Deep Learning Approach to Antibiotic Discovery

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TLDR
A deep neural network capable of predicting molecules with antibacterial activity is trained and a molecule from the Drug Repurposing Hub-halicin- is discovered that is structurally divergent from conventional antibiotics and displays bactericidal activity against a wide phylogenetic spectrum of pathogens.
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This article is published in Cell.The article was published on 2020-02-20 and is currently open access. It has received 1002 citations till now.

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Biological Dark Matter Exploration using Data Mining for the Discovery of Antimicrobial Natural Products

- 13 Jun 2022 - 
TL;DR: A review of the state-of-the-art for data mining in the fields of bacteria, fungi, and plant genomic data, as well as metabologenomics can be found in this article .
Book ChapterDOI

In silico and in vivo methods for designing antibiofilm agents against Pseudomonas aeruginosa and Staphylococcus aureus

TL;DR: In this article , the authors discussed the molecular docking methods and animal models used extensively against P. aeruginosa and S. aureus and discussed possible challenges and future prospects for antibiofilm agent development.
Journal ArticleDOI

Uni-QSAR: an Auto-ML Tool for Molecular Property Prediction

TL;DR: Uni-QSAR as discussed by the authors combines molecular representation learning (MRL) of 1D sequential tokens, 2D topology graphs, and 3D conformers with pretraining models to leverage rich representation from large-scale unlabeled data.
Journal ArticleDOI

Using Graph Neural Network to Enhance Quality of Service Prediction

TL;DR: In this paper , a model-based algorithm using the graph neural network (GNN) to predict the quality of service (QoS) values has been proposed and an experiment was conducted to evaluate the performance of the proposed method.
Journal ArticleDOI

Drug-dependent growth curve reshaping reveals mechanisms of antifungal resistance in Saccharomyces cerevisiae

TL;DR: In this paper , the AMN1 gene responsible for clumping multicellularity in a budding yeast strain, causing it to become unicellular, was removed, and the growth curve changes upon drug treatment.
References
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Journal ArticleDOI

Moderated estimation of fold change and dispersion for RNA-seq data with DESeq2

TL;DR: This work presents DESeq2, a method for differential analysis of count data, using shrinkage estimation for dispersions and fold changes to improve stability and interpretability of estimates, which enables a more quantitative analysis focused on the strength rather than the mere presence of differential expression.
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Fast and accurate short read alignment with Burrows–Wheeler transform

TL;DR: Burrows-Wheeler Alignment tool (BWA) is implemented, a new read alignment package that is based on backward search with Burrows–Wheeler Transform (BWT), to efficiently align short sequencing reads against a large reference sequence such as the human genome, allowing mismatches and gaps.
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edgeR: a Bioconductor package for differential expression analysis of digital gene expression data.

TL;DR: EdgeR as mentioned in this paper is a Bioconductor software package for examining differential expression of replicated count data, which uses an overdispersed Poisson model to account for both biological and technical variability and empirical Bayes methods are used to moderate the degree of overdispersion across transcripts, improving the reliability of inference.
Journal ArticleDOI

One-step inactivation of chromosomal genes in Escherichia coli K-12 using PCR products

TL;DR: A simple and highly efficient method to disrupt chromosomal genes in Escherichia coli in which PCR primers provide the homology to the targeted gene(s), which should be widely useful, especially in genome analysis of E. coli and other bacteria.
Journal ArticleDOI

Extended-Connectivity Fingerprints

TL;DR: A description of their implementation has not previously been presented in the literature, and ECFPs can be very rapidly calculated and can represent an essentially infinite number of different molecular features.
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