Results 111 to 120 of about 119,802 (171)

Comparative entropy analysis of 2D transition metal tetrahydroxyquinones via machine learning approaches. [PDF]

Sci Rep
Irfan M, Bashir N, Gaid ASA, Althobaiti T, Rehman HU, Semaničová-Feňovčíková A.   +5 more
europepmc   +1 more source

PPISHES-an enhanced physicochemical approach for predicting protein interaction sites using graph neural networks. [PDF]

Protein Sci
Khanna D, Shaikh AAS, Rueda L.
europepmc   +1 more source

Analysis of Bis(trifluoromethylsulfonyl)imide Interactions with Metal Cations Through a Chemical Informatics Approach. [PDF]

Molecules
Gumaste T, Cooper FL, Blakemore JD.
europepmc   +1 more source

A Multi-input Deep Learning Architecture for STAT3 Inhibitor Prediction. [PDF]

ACS Omega
Liang K, Qin W, Zhang Y.
europepmc   +1 more source

Multimodal Modeling for Polymer Property Prediction and Decoupling of Structure-Property Relationship. [PDF]

Chem Bio Eng
Lv R, Han W, Zeng Z, He Y, Lei L, Li P, Zhang X.   +6 more
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

MoleculeFormer is a GCN-transformer architecture for molecular property prediction. [PDF]

Commun Biol
Qin M, Sun Z, Feng L, Han C, Xia J, Han L.   +5 more
europepmc   +1 more source

MEGDTA: multi-modal drug-target affinity prediction based on protein three-dimensional structure and ensemble graph neural network. [PDF]

BMC Genomics
Hou Z, Li Y, Zhai H, Luo J, Ding Y, Pan Y.   +5 more
europepmc   +1 more source

Graph Neural Networks vs. Traditional QSAR: A Comprehensive Comparison for Multi-Label Molecular Odor Prediction. [PDF]

Molecules
Wen T, Cai X, Li J.
europepmc   +1 more source

Rapid Exploration of the Assembly Chemical Space of Molecular Graphs. [PDF]

J Chem Inf Model
Seet I, Patarroyo KY, Siebert G, Walker SI, Cronin L.   +4 more
europepmc   +1 more source