Articles with "target interactions" as a keyword



Linear and Kernel Model Construction Methods for Predicting Drug-Target Interactions in a Chemogenomic Framework.

Sign Up to like & get
recommendations!
Published in 2018 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-8639-2_12

Abstract: Identification of drug-target interactions is a crucial process in drug discovery. In this chapter, we present protocols for recent advancements in machine learning methods for predicting drug-target interactions from heterogeneous biological data in a chemogenomic… read more here.

Keywords: kernel; target; methods predicting; drug ... See more keywords

Computational Prediction of Drug-Target Interactions via Ensemble Learning.

Sign Up to like & get
recommendations!
Published in 2019 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-8955-3_14

Abstract: Therapeutic effects of drugs are mediated via interactions between them and their intended targets. As such, prediction of drug-target interactions is of great importance. Drug-target interaction prediction is especially relevant in the case of drug… read more here.

Keywords: drug; prediction drug; drug target; target interactions ... See more keywords
Photo from academic.microsoft.com

Characterizing Drug-Target Interactions: Shifting towards the Clinic.

Sign Up to like & get
recommendations!
Published in 2020 at "Trends in pharmacological sciences"

DOI: 10.1016/j.tips.2020.03.001

Abstract: Recently, Perrin et al. reported the application of thermal proteome profiling (TPP), a cellular thermal shift assay with an unbiased proteomics readout to complex tissue samples from model organisms and patient-derived whole blood. This study… read more here.

Keywords: characterizing drug; drug; drug target; interactions shifting ... See more keywords

Predicting drug-target interactions using Lasso with random forest based on evolutionary information and chemical structure.

Sign Up to like & get
recommendations!
Published in 2018 at "Genomics"

DOI: 10.1016/j.ygeno.2018.12.007

Abstract: The identification of drug-target interactions has great significance for pharmaceutical scientific research. Since traditional experimental methods identifying drug-target interactions is costly and time-consuming, the use of machine learning methods to predict potential drug-target interactions has… read more here.

Keywords: target; drug; drug target; target interactions ... See more keywords

MVCL-DTI: Predicting Drug-Target Interactions Using a Multiview Contrastive Learning Model on a Heterogeneous Graph

Sign Up to like & get
recommendations!
Published in 2025 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.4c02073

Abstract: Accurate prediction of drug-target interactions (DTIs) is pivotal for accelerating the processes of drug discovery and drug repurposing. MVCL-DTI, a novel model leveraging heterogeneous graphs for predicting DTIs, tackles the challenge of synthesizing information from… read more here.

Keywords: mvcl dti; target interactions; drug; model ... See more keywords

Deep Neural Network-Assisted Drug Recommendation Systems for Identifying Potential Drug–Target Interactions

Sign Up to like & get
recommendations!
Published in 2022 at "ACS Omega"

DOI: 10.1021/acsomega.2c00424

Abstract: In silico methods to identify novel drug–target interactions (DTIs) have gained significant importance over conventional techniques owing to their labor-intensive and low-throughput nature. Here, we present a machine learning-based multiclass classification workflow that segregates interactions… read more here.

Keywords: neural network; target interactions; drug target; deep neural ... See more keywords

Labels as a feature: Network homophily for systematically annotating human GPCR drug-target interactions

Sign Up to like & get
recommendations!
Published in 2025 at "Nature Communications"

DOI: 10.1038/s41467-025-59418-6

Abstract: Machine learning has revolutionized drug discovery by enabling the exploration of vast, uncharted chemical spaces essential for discovering novel patentable drugs. Despite the critical role of human G protein-coupled receptors in FDA-approved drugs, exhaustive in-distribution… read more here.

Keywords: network homophily; target interactions; drug; target ... See more keywords

Surface mediated cooperative interactions of drugs enhance mechanical forces for antibiotic action

Sign Up to like & get
recommendations!
Published in 2017 at "Scientific Reports"

DOI: 10.1038/srep41206

Abstract: The alarming increase of pathogenic bacteria that are resistant to multiple antibiotics is now recognized as a major health issue fuelling demand for new drugs. Bacterial resistance is often caused by molecular changes at the… read more here.

Keywords: surface; drug; drug resistant; drug target ... See more keywords

Exploiting breakdown in nonhost effector–target interactions to boost host disease resistance

Sign Up to like & get
recommendations!
Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"

DOI: 10.1073/pnas.2114064119

Abstract: Significance Plant nonhost resistance (NHR) prevents infection by all members of most microbial species, but its molecular mechanisms are not well understood. We found that effector proteins from the potato blight pathogen Phytophthora infestans, which… read more here.

Keywords: target interactions; exploiting breakdown; effector target; effector ... See more keywords

Identification of drug-target interactions via multiple kernel-based triple collaborative matrix factorization

Sign Up to like & get
recommendations!
Published in 2022 at "Briefings in bioinformatics"

DOI: 10.1093/bib/bbab582

Abstract: Targeted drugs have been applied to the treatment of cancer on a large scale, and some patients have certain therapeutic effects. It is a time-consuming task to detect drug-target interactions (DTIs) through biochemical experiments. At… read more here.

Keywords: matrix; target interactions; drug target; multiple kernel ... See more keywords

IIFDTI: predicting drug-target interactions through interactive and independent features based on attention mechanism

Sign Up to like & get
recommendations!
Published in 2022 at "Bioinformatics"

DOI: 10.1093/bioinformatics/btac485

Abstract: MOTIVATION Identifying drug-target interactions is a crucial step for drug discovery and design. Traditional biochemical experiments are credible to accurately validate drug-target interactions. However, they are also extremely laborious, time-consuming, and expensive. With the collection… read more here.

Keywords: target interactions; independent features; drug target; attention ... See more keywords