Results 111 to 120 of about 1,956 (175)

Martinize2 and Vermouth provide a unified framework for molecular topology generation. [PDF]

Elife
Kroon PC, Grünewald F, Barnoud J, van Tilburg M, Brasnett C, Souza PCT, Wassenaar TA, Marrink SJ.   +7 more
europepmc   +1 more source

Datasets for the Evaluation of Substitution-Tolerant Subgraph Isomorphism

, 2013
Due to their representative power, structural descriptions have gained a great interest in the community working on graphics recognition. Indeed, graph based representations have successful been used for isolated symbol recognition.
Adam, Sébastien, Héroux, Pierre, Le Bodic, Pierre   +2 more
core  

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

Link Prediction in Heterogeneous Information Networks: Improved Hypergraph Convolution with Adaptive Soft Voting. [PDF]

Entropy (Basel)
Zhang S, Huang Y, Luo Z, Zhou J, Wu B, Sun K, Mao H.   +6 more
europepmc   +1 more source

Network design for bypass roads using interval valued fuzzy outerplanar graphs. [PDF]

Sci Rep
Jaisankar D, Ramalingam S, Deivanayagampillai N, Walelign T.   +3 more
europepmc   +1 more source

SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis. [PDF]

J Chem Inf Model
Phan TL, González Laffitte ME, Weinbauer K, Merkle D, Andersen JL, Fagerberg R, Gatter T, Stadler PF.   +7 more
europepmc   +1 more source

Empirical evaluation of subgraph isomorphism solvers

Problem podgrafnega izomorfizma je NP-poln in se pojavlja v bioinformatiki, analizi omrežij ter računalniškem vidu. V nalogi smo empirično ovrednotili pet reševalnikov induciranega podgrafnega izomorfizma: RI, VF3, PathLAD, SICS in Glasgow Subgraph ...
Volk, Jana
core  

Network motif detection using hidden markov models. [PDF]

Sci Rep
Bampos C, Megalooikonomou V.
europepmc   +1 more source

Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation. [PDF]

J Chem Inf Model
Konrad J, Meißner R.
europepmc   +1 more source

eMap 2.0: A Web-Based Platform for Identifying electron Transfer Pathways in Proteins and Protein Families. [PDF]

Wiley Interdiscip Rev Comput Mol Sci
Gayvert JR, Kranc AJ, Tazhigulov RN, Bravaya KB.   +3 more
europepmc   +1 more source