Results 131 to 140 of about 55,019 (192)

Searching chemical databases in the pre-history of cheminformatics. [PDF]

J Cheminform
Willett P.
europepmc   +1 more source

Out-of-distribution generalization enhances protein function annotation for low-homology sequences. [PDF]

Brief Bioinform
Fu Y, Chen J, Lin H, Gu Z, Long Q, Wan H, Luo X, Deng M.   +7 more
europepmc   +1 more source

When are Quarnets Sufficient to Reconstruct Semi-directed Phylogenetic Networks? [PDF]

Bull Math Biol
Huber KT, Iersel LV, Jones M, Moulton V, Veenema-Nipius L.   +4 more
europepmc   +1 more source

A novel approach to graph distinction through GENEOs and permutants. [PDF]

Sci Rep
Bocchi G, Ferri M, Frosini P.
europepmc   +1 more source

Deciphering Experimental Reactivity of Metal Clusters Toward N₂ Activation Using Graph Neural Networks. [PDF]

JACS Au
Wang Y, Wang C, Mou LH, Jiang J.
europepmc   +1 more source

Dynamic frequent subgraph mining algorithms over evolving graphs: a survey. [PDF]

PeerJ Comput Sci
Ergenç Bostanoğlu B, Abuzayed N.
europepmc   +1 more source

TAGNN: topology-aware graph neural network framework for link prediction. [PDF]

Sci Rep
Liang M, Zhang H.
europepmc   +1 more source

Automated Annotation of Sites of Metabolism from Biotransformation Data. [PDF]

J Chem Inf Model
Jacob RA, Mazzolari A, Kirchmair J.
europepmc   +1 more source

DeepMech: a machine learning framework for chemical reaction mechanism prediction. [PDF]

Chem Sci
Das M, Hoque A, Baranwal M, Sunoj RB.
europepmc   +1 more source

Interpretable graph-based models on multimodal biomedical data integration: a technical review and benchmarking. [PDF]

Nat Commun
Sadeghi A, Hajati F, Argha A, H Lovell N, Yang M, Alinejad-Rokny H.   +5 more
europepmc   +1 more source