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

open access: yesJ Chem Inf Model
Seet I   +4 more
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Multisite, External Validation of an AI-Enabled ECG Algorithm for Detection of Low Ejection Fraction. [PDF]

open access: yesJACC Adv
Carter RE   +18 more
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Bilinear programming: An exact algorithm

Mathematical Programming, 1977
The Bilinear Programming Problem is a structured quadratic programming problem whose objective function is, in general, neither convex nor concave. Making use of the formal linearity of a dual formulation of the problem, we give a necessary and sufficient condition for optimality, and an algorithm to find an optimal solution.
Gallo G., Ulkucu A.
openaire   +6 more sources

Exact Langevin algorithms

Molecular Physics, 1992
In this paper the Hybrid Monte Carlo algorithm for condensed-matter systems is described as a generalized Langevin algorithm and compared to the Langevin scheme. Furthermore the parallel implementation of this class of algorithms is described.
B. Mehlig, D.W. Heermann, B.M. Forrest
openaire   +1 more source

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