12 research outputs found

    Bethe Ansatz for the Spin-1 XXX Chain with Two Impurities

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    By using algebraic Bethe ansatz method, we give the Hamitonian of the spin-1 XXX chain associated with sl2sl_2 with two boundary impurities.Comment: 8 pages, latex, no figures, to be appeared in Commun. Theor. Phy

    The Dynamical Yang-Baxter Relation and the Minimal Representation of the Elliptic Quantum Group

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    In this paper, we give the general forms of the minimal LL matrix (the elements of the LL-matrix are cc numbers) associated with the Boltzmann weights of the An11A_{n-1}^1 interaction-round-a-face (IRF) model and the minimal representation of the An1A_{n-1} series elliptic quantum group given by Felder and Varchenko. The explicit dependence of elements of LL-matrices on spectral parameter zz are given. They are of five different forms (A(1-4) and B). The algebra for the coefficients (which do not depend on zz) are given. The algebra of form A is proved to be trivial, while that of form B obey Yang-Baxter equation (YBE). We also give the PBW base and the centers for the algebra of form B.Comment: 23 page

    Integrability of the Heisenberg Chains with Boundary Impurities and Their Bethe Ansatz

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    In this paper, we show the integrability of spin-1/2 XXZ Heisenberg chain with two arbitrary spin boundary Impurities. By using the fusion method, we generalize it to the spin-1 XXZ chain. Then the eigenvalues of Hamiltonians of these models are obtained by the means of Bethe ansatz method.Comment: 13 pages, latex, no figures, to be appeared in J.Phys.

    AI is a viable alternative to high throughput screening: a 318-target study

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    : High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery
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