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Advancing drug–target interaction prediction: a comprehensive graph-based approach integrating knowledge graph embedding and ProtBert pretraining

Ikemen Mas Kot
11か月前

Comparing methods for drug–gene interaction prediction on the biomedical literature knowledge graph: performance versus explainability

Ikemen Mas Kot
1年前

Sequence-based prediction of the intrinsic solubility of peptides containing non-natural amino acids

Ikemen Mas Kot
1年前

Extracting medicinal chemistry intuition via preference machine learning

Ikemen Mas Kot
1年前

ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking

Ikemen Mas Kot
1年前

PepMLM: Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling

Ikemen Mas Kot
1年前

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

Ikemen Mas Kot
1年前

Artificial Intelligence for Drug Discovery: Are We There Yet?

Ikemen Mas Kot
1年前

Contrastive learning in protein language space predicts interactions between drugs and protein targets

Ikemen Mas Kot
1年前