Bioinformatics | Genetics | Oncology PMTPred: machine-learning-based prediction of protein methyltransferases using the composition of k-spaced amino acid pairs. July 20, 2024
Bioinformatics | Pharmacology A comparative analysis of computational drug repurposing approaches: proposing a novel tensor-matrix-tensor factorization method. April 29, 2024
Orthopedics | Pharmacology Integrated machine learning-based virtual screening and biological evaluation for identification of potential inhibitors against cathepsin K. April 25, 2024
Biochemistry | Chemoinformatics | Pharmacology First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183. March 9, 2024
Oncology | Pharmacology A deep learning-based theoretical protocol to identify potentially isoform-selective PI3Kα inhibitors. February 2, 2024
Oncology | Pharmacology Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing. January 19, 2024
Computational Chemistry Deep learning algorithms applied to computational chemistry. December 27, 2023
Bioinformatics | Pharmaceutical Sciences | Virology Review and perspective on bioinformatics tools using machine learning and deep learning for predicting antiviral peptides. August 25, 2023
Drug Discovery | Oncology | Pharmacology Development and validation of machine learning models for the prediction of SH-2 containing protein tyrosine phosphatase 2 inhibitors. August 8, 2023
Oncology | Pharmacology Classification of FLT3 inhibitors and SAR analysis by machine learning methods. May 4, 2023
Bioinformatics | Drug Development | Pharmacology A consensual machine-learning-assisted QSAR model for effective bioactivity prediction of xanthine oxidase inhibitors using molecular fingerprints. April 12, 2023
Artificial Intelligence | Bioinformatics | Chemoinformatics | Drug Discovery Exploring proteasome inhibition using atomic weighted vector indices and machine learning approaches. April 5, 2023