Multitask Learning on Graph Convolutional Residual Neural Networks for Screening of Multitarget Anticancer Compounds.

Recently, various modern experimental screening pipelines and assays have been developed to find promising anticancer drug candidates. However, it is time-consuming and almost infeasible to screen an immense number of compounds for anticancer activity via experimental approaches. To partially address this issue, several computational advances have been proposed.

An efficient hybrid deep learning architecture for predicting short antimicrobial peptides.

Short-length antimicrobial peptides (AMPs) have been demonstrated to have intensified antimicrobial activities against a wide spectrum of microbes. Therefore, exploration of novel and promising short AMPs is highly essential in developing various types of antimicrobial drugs or treatments. In addition to experimental approaches, computational methods have been developed to improve screening efficiency.

eMIC-AntiKP: Estimating minimum inhibitory concentrations of antibiotics towards using deep learning.

Nowadays, antibiotic resistance has become one of the most concerning problems that directly affects the recovery process of patients. For years, numerous efforts have been made to efficiently use antimicrobial drugs with appropriate doses not only to exterminate microbes but also stringently constrain any chances for bacterial evolution. However, choosing proper antibiotics is not a straightforward and time-effective process because well-defined drugs can only be given to patients after determining microbic taxonomy and evaluating minimum inhibitory concentrations (MICs).

iNSP-GCAAP: Identifying nonclassical secreted proteins using global composition of amino acid properties.

Nonclassical secreted proteins (NSPs) refer to a group of proteins released into the extracellular environment under the facilitation of different biological transporting pathways apart from the Sec/Tat system. As experimental determination of NSPs is often costly and requires skilled handling techniques, computational approaches are necessary. In this study, we introduce iNSP-GCAAP, a computational prediction framework, to identify NSPs.

Predicting Antimalarial Activity in Natural Products Using Pretrained Bidirectional Encoder Representations from Transformers.

Malaria is a threatening disease that has claimed many lives and has a high prevalence rate annually. Through the past decade, there have been many studies to uncover effective antimalarial compounds to combat this disease. Alongside chemically synthesized chemicals, a number of natural compounds have also been proven to be as effective in their antimalarial properties.

Identifying Transcription Factors That Prefer Binding to Methylated DNA Using Reduced -Gap Dipeptide Composition.

Transcription factors (TFs) play an important role in gene expression and regulation of 3D genome conformation. TFs have ability to bind to specific DNA fragments called enhancers and promoters. Some TFs bind to promoter DNA fragments which are near the transcription initiation site and form complexes that allow polymerase enzymes to bind to initiate transcription.

iPseU-NCP: Identifying RNA pseudouridine sites using random forest and NCP-encoded features.

Background: Pseudouridine modification is most commonly found among various kinds of RNA modification occurred in both prokaryotes and eukaryotes. This biochemical event has been proved to occur in multiple types of RNAs, including rRNA, mRNA, tRNA, and nuclear/nucleolar RNA. Hence, gaining a holistic understanding of pseudouridine modification can contribute to the development of drug discovery and gene therapies.

iEnhancer-ECNN: identifying enhancers and their strength using ensembles of convolutional neural networks.

Background: Enhancers are non-coding DNA fragments which are crucial in gene regulation (e.g. transcription and translation).

Predicting the onset of type 2 diabetes using wide and deep learning with electronic health records.

Objective: Diabetes is responsible for considerable morbidity, healthcare utilisation and mortality in both developed and developing countries. Currently, methods of treating diabetes are inadequate and costly so prevention becomes an important step in reducing the burden of diabetes and its complications. Electronic health records (EHRs) for each individual or a population have become important tools in understanding developing trends of diseases.