SApredictor: An Expert System for Screening Chemicals Against Structural Alerts.
PMID:35910729
Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset.
PMID:35739374
Knowledge integration and decision support for accelerated discovery of antibiotic resistance genes.
PMID:35487919
In silico prediction of chemical-induced hematotoxicity with machine learning and deep learning methods.
PMID:34196933
Artificial Intelligence in Drug Discovery: A Comprehensive Review of Data-driven and Machine Learning Approaches.
PMID:33437151
Review on natural products databases: where to find data in 2020.
PMID:33431011
QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors.
PMID:33383938
PubChem in 2021: new data content and improved web interfaces.
PMID:33151290
Improved Prediction of Aqueous Solubility of Novel Compounds by Going Deeper With Deep Learning.
PMID:32117768
BIOPEP-UWM Database of Bioactive Peptides: Current Opportunities.
PMID:31783634
Navigating in vitro bioactivity data by investigating available resources using model compounds.
PMID:31036807
BitterDB: taste ligands and receptors database in 2019.
PMID:30357384
biochem4j: Integrated and extensible biochemical knowledge through graph databases.
PMID:28708831
Developing criteria for evaluation of geroprotectors as a key stage toward translation to the clinic.
PMID:26970234
Chemical Entity Recognition and Resolution to ChEBI.
PMID:25937941
The Comparative Toxicogenomics Database: update 2011.
PMID:20864448
Comparative Toxicogenomics Database: a knowledgebase and discovery tool for chemical-gene-disease networks.
PMID:18782832