Results 1 to 10 of about 968 (169)

On univariate optimal partitioning by complete enumeration. [PDF]

MethodsX, 2023
Aubry P.
europepmc   +1 more source

Enumeration of rooted binary perfect phylogenies. [PDF]

Discrete Appl Math
Shiff CE, Rosenberg NA.
europepmc   +1 more source

Generative Multiobjective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design. [PDF]

Ind Eng Chem Res
Muthyala MR, Sorourifar F, Tan T, Peng Y, Paulson JA.   +4 more
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

Partition Function Zeros of Paths and Normalization Zeros of ASEPS. [PDF]

Entropy (Basel)
Burda Z, Johnston DA.
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Generalization to d-dimensions of a fermionic path integral for exact enumeration of polygons on hypercubic lattices. [PDF]

Sci Rep
Ostilli M, Rocha GWC, Bezerra CG, Viswanathan GM.   +3 more
europepmc   +1 more source

On tiny-probability lattice enumeration. [PDF]

Jpn J Ind Appl Math
Aono Y, Nguyen PQ.
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Sackin indices for labeled and unlabeled classes of galled trees. [PDF]

J Math Biol
Fuchs M, Gittenberger B.
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Crossover operators for molecular graphs with an application to virtual drug screening. [PDF]

J Cheminform
Domschke N, Schmidt BJ, Gatter T, Golnik R, Eisenhuth P, Liessmann F, Meiler J, Stadler PF.   +7 more
europepmc   +1 more source

Application and Prospects of Large Language Models in Small-Molecule Drug Discovery. [PDF]

Anal Chem
Ma J, Liu J, Xu D, Song X, Zhang Z.
europepmc   +1 more source