Results 151 to 160 of about 448,148 (200)

KLSD: A Curated Kinase-Ligand Database Mapping Selectivity Landscapes and Polypharmacology. [PDF]

ACS Omega
Chen C, Yuan Y, Li H, Lang X, Li C, Song Y, Liang M, Yang Y, Qiao X, Sun S, Zhou Z.   +10 more
europepmc   +1 more source

Inverse design of parameter-controlled disclination paths. [PDF]

Proc Natl Acad Sci U S A
Tsubery Y, Aharoni H.
europepmc   +1 more source

MoltiTox: a multimodal fusion model for molecular toxicity prediction. [PDF]

Front Toxicol
Park J, Lee S.
europepmc   +1 more source

TempSnap-Trace: A temporal snapshot-based framework for haplotype network tracing. [PDF]

Biosaf Health
Liu J, Li D, Li Y, Huang T.
europepmc   +1 more source

NOCTIS: open-source toolkit that turns reaction data into actionable graph networks. [PDF]

J Cheminform
Lopanitsyna N, Pasquini M, Stenta M.
europepmc   +1 more source

Leveraging molecular descriptors and explainable machine learning for monomer conversion prediction in photoinduced electron transfer-reversible addition-fragmentation chain transfer polymerization. [PDF]

Sci Rep
Alemdag B, Kocaarslan A, Kabay G.
europepmc   +1 more source

CMCL-DDI: Pharmacophore-aware cross-view contrastive learning for drug-drug interaction prediction. [PDF]

PLoS One
Han Y, Du L.
europepmc   +1 more source

Finding low-complexity DNA sequences with longdust. [PDF]

Bioinformatics
Li H, Li B.
europepmc   +1 more source

MGF-DTA: A Multi-Granularity Fusion Model for Drug-Target Binding Affinity Prediction. [PDF]

Int J Mol Sci
Ni Z, Wei B, Zeng Y.
europepmc   +1 more source

Multimodal Cross-Attention Molecular Property Prediction for Text, Sequence, Graph, and Geometry. [PDF]

ACS Omega
Sun S, Wang P, He Y, Yang J, Li S.
europepmc   +1 more source