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1.
In the process of drug discovery and disease treatment, drug repositioning is broadly studied to identify biological targets for existing drugs. Many methods have been proposed for drug–target interaction prediction by taking into account different kinds of data sources. However, most of the existing methods only use one side information for drugs or targets to predict new targets for drugs. Some recent works have improved the prediction accuracy by jointly considering multiple representations of drugs and targets. In this work, the authors propose a drug–target prediction approach by matrix completion with multi‐view side information (MCM) of drugs and proteins from both structural view and chemical view. Different from existing studies for drug–target prediction, they predict drug–target interaction by directly completing the interaction matrix between them. The experimental results show that the MCM method could obtain significantly higher accuracies than the comparison methods. They finally report new drug–target interactions for 26 FDA‐approved drugs, and biologically discuss these targets using existing references.Inspec keywords: proteins, diseases, medical computing, drugs, genetics, molecular biophysicsOther keywords: drug–target interaction prediction, prediction accuracy, matrix completion, multiview side information, structural view, chemical view, drug repositioning, drug discovery, biological targets, FDA‐approved drugs

Nomenclature

P
md×mt known drug–target interaction matrix
As
kd×kt complete low‐rank matrix in the structural view
Ac
kd×kt complete low‐rank matrix in the chemical view
Wds
md×md drug–drug similarity matrix in the structural view
Wts
mt×mt target–target similarity matrix in the structural view
Wdt
md×md drug–drug similarity matrix in the chemical view
Wtt
mt×mt target–target similarity matrix in the chemical view
Ds
md×kd drugs feature matrix in the structural view
Gs
mt×kt protein targets feature matrix in the structural view
Dc
md×kd drugs feature matrix in the chemical view
Gc
mt×kt protein targets feature matrix in the chemical view
Q
md×mt the common complete drug–target interaction matrix
Z
kd×kt any given matrix
,
inner product for matrices
gradient operator
λ1, λ2
trade‐off parameters
  相似文献   

2.
Ti1−zNbzN ceramics were fabricated by sintering nanocrystalline titanium-niobium oxynitride (Ti1−zNbzOxNy) powders using spark plasma sintering (SPS) technique at 1060 °C for 3 min in an N2 atmosphere. The phase composition and microstructure were characterized by XRD, SEM, TEM and EDS. The results showed that Ti1−zNbzN ceramics remained the cubic structures of Ti1−zNbzOxNy powders. There were XRD peak shifts in the cubic phases between Ti1−zNbzN ceramics and corresponding Ti1−zNbzOxNy powders. During the sintering process, oxygen separated from Ti1−zNbzOxNy to form titanium-niobium oxides. Ti1−zNbzN (0 < z < 1) had a more compact structure than TiOxNy and NbOxNy. Ti0.5Nb0.5N ceramic had the biggest grain size in the series of Ti1−zNbzN.  相似文献   

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4.
针对传统的基于数据驱动的机械故障模式识别方法中需要人工构造算法提取特征以及人工构造特征提取算法繁琐的问题,结合卷积神经网络(CNN)在图像特征自动提取与图像分类识别中的广泛应用,提出了一种基于CNN图像分类的轴承故障模式识别方法。首先,利用集合经验模态分解(EEMD)方法对轴承振动信号进行自适应分解并用相关系数对得到的本征模函数分量进行筛选。其次,对筛选得到的本征模函数分量进行伪魏格纳-威利时频分析(PWVD)计算得到信号的时频分布图,并对时频图进行预处理。最后,将轴承15种不同工况预处理后的时频图利用CNN进行特征提取与分类识别。将该方法与同类方法进行了对比,分类正确率提高了4.26%。  相似文献   

5.
6.
Li2TiO3 ceramics were prepared at the sintering temperatures from 1050 to 1250 °C. The optimal microwave dielectric properties were ?r = 23.29, Q × f = 15,525 GHz (5.9 GHz), and τf = 35.05 ppm/ °C for the sample sintered at 1200 °C. The microwave dielectric properties were improved obviously when the Li2TiO3 ceramics were sintered at low temperatures with small additions of H3BO3 (B2O3 in the form of H3BO3). Only monoclinic Li2TiO3 was found in the pure or H3BO3-doped Li2TiO3 ceramics. About 1.0 wt.% H3BO3 addition aided the sintering of Li2TiO3 ceramics effectively while excessive H3BO3 (≥2.5 wt.%) was not favorable. Typically the best microwave dielectric properties were ?r = 23.28, Q × f = 37,110 GHz (6.3 GHz), and τf = 30.43 ppm/ °C for the 1.0 wt.% H3BO3-doped Li2TiO3 ceramic sintered at 920 for 3 h, which is promising for LTCC applications.  相似文献   

7.
The effect of preloading on crack nucleation time was examined with compact tension specimens having various notch radius in 0.1N-H2SO4 aqueous solution for 200°C tempered AISI 4340 steel. Crack nucleation time tn increases by preloading for a given apparent stress intensity factor Kp2. The curve K?2 vs. tn deviates upward from the curve for the non preloading case. A linear relationship between the crack nucleation time and parameter (2K?2/(π?)12?(2K?2/(π?)12)th) is seen in semi-log diagram, where (2K?2/(π?)12)th is taken as the value at tn=α due to preloading. The apparent threshold stress intensity factor increases with K?2 which is the apparent stress intensity factor of preloading. A detached crack is nucleated at some distance from the notch root and extends in a form of circle. This distance increases with increasing K?2. The effect of load reduction during crack growth was examined. When the K-value was reduced from K1 to K2, an incubation time was observed before the crack started growing under the K2-value. The incubation time tm tends to increase with increasing ΔK = K1-K2. The threshold stress intensity factor was also found to increase for high load reduction.In order to explain these experimental results, a new dislocation model is proposed on the basis of stress induced diffusion of hydrogen in high stress region ahead of the notch root or a crack. This model suggests that the change in the crack nucleation time and the increase of the incubation time due to preloading or load reduction are caused by reducing the hydrostatic pressure and by spreading the hydrogen saturated region which requires more time for the hydrogen accumulation due to preloading or load reduction. The theory predicts the experimentally observed relations between (2K?2/(π?)12 ? (2K?2/(π?)12)th) and tn and between log tin and ΔK.  相似文献   

8.
H1−xLaNb2−xMoxO7 was prepared by solid-state reaction followed by an ion-exchange reaction. Pt was incorporated in the interlayer of H1−xLaNb2−xMoxO7 by the stepwise intercalation reaction. The H1−xLaNb2−xMoxO7 showed hydrogen production activity and the activities were greatly enhanced by Pt co-incorporating. The x value in H1−xLaNb2−xMoxO7 had an important effect on the photocatalytic activity of the catalyst. When the x = 0.05, the H1−xLaNb2−xMoxO7/Pt showed a photocatalytic activity of 80 cm3 h−1 g−1 hydrogen evolution rate in 10 vol.% methanol solution under irradiation from a 100 W mercury lamp at 333 K.  相似文献   

9.
《Materials Letters》2006,60(17-18):2211-2213
The dielectric properties of (Ba1−xCax)1−1.5yBiyTiO3 (x = 0.10, 0.20 and 0.30, y = 0.05) ceramics were investigated. XRD analysis shows that 5 at.% of Bi doping can be fully incorporated into the perovskite lattice of (Ba1−xCax)TiO3. The maximal dielectric constant Km of (Ba1−xCax)1−1.5yBiyTiO3 ceramics decreases significantly with increasing x for all the compositions. Compared with undoped Ba1−xCaxTiO3 ceramics [Mater. Chem. Phys. 77 (2002)], Bi doping remarkably shifts the temperature of the peak dielectric constants Tm to lower temperature and a broad dielectric peak exhibits strong frequency dispersion. With increasing frequency, Km decreases and Tm shifts to higher temperatures in (Ba1−xCax)1−1.5yBiyTiO3 ceramics. A typical behavior to well-known relaxor ferroelectric is observed. The relaxation behavior observation is suggested due to a random electric field induced domain state.  相似文献   

10.
The literature on the spread and vaporisation of cryogenic liquids on water is reviewed and a new model proposed. The model incorporates the features o
T001. List of symbols
  相似文献   

11.
The half-metallic ferromagnet CoLa2O4 was predicted based on density function theory. Its magnetic and electric properties were studied systematically. Results show that CoLa2O4 has half-metallicity and its molecular magnetic moment is 3.00 μB, which is lower than 4.0 μB of Fe3O4. CoLa2O4 is more sensitive than Fe3O4 in the same applied field. La-ions have little spin polarization. The electronic structures of a Co-ion and a La-ion are a1g 1↑a1g 1↓t1u 3↑t1u 3↓eg 2↑eg 2↓t2g 3↑ and a1g 1↑a1g 1↓t1u 3↑t1u 3↓ t2g 3↑t2g 3↓eg 2↑eg 2↓eg 2*↑eg 2*↓, respectively.  相似文献   

12.
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14.
Phase-pure calcium zinc manganite, Ca4Mn7Zn3O21  δ has been synthesized by the solid-state reaction between CaMnO3, ZnO and Mn3O4 at ∼ 1300 °C. Conversion of Ca4Mn7Zn3O21  δ to Ca4Mn7Zn3O19 ± δ occurs at 1330-1350 °C which is influenced by the oxygen nonstoichiometry associated with increasing Mn3+/Mn4+ ratio. The Ca4Mn7Zn3O21  δ phase is rhombohedral (space group = R3¯m) and has the β″-alumina (BA)-type structure consisting dominantly of Mn4+ (3d3) ions. The Ca4Mn7Zn3O19 ± δ is hexagonal (space group = P63/mmc) having the magnetoplumbite (MP)-type structure containing dominantly Mn3+ (3d4) ions. The electrical transport properties of Ca4Mn7Zn3O21  δ and Ca4Mn7Zn3O19 ± δ are indicative of the activated-type small polaron hopping conductivity below 366 and 392 K respectively. The anisotropic charge transport is influenced only in a limited way by the mixed-valency of Mn prevailing in the manganite spinel blocks. Highly nonlinear current-voltage (I-V) curves with nonlinearity coefficient, α, up to 64 was achieved at the turn-on field strength Et ∼ 110-160 V/mm. Magnetic properties of Ca4Mn7Zn3O21  δ and Ca4Mn7Zn3O19 ± δ have been investigated which showed the antiferromagnetic-insulating (AFI) behavior with TN = 103 and 80 K and with an AF-ordered effective magnetic moment, μeff = 3.54 and 4.28 μB/Mn respectively. The Ca4Mn7Zn3O19 ± δ phase showed the ferrimagnetic interaction below TN (at ∼ 20 K).  相似文献   

15.
The results of X-rays, electrical resistivities and magnetic studies performed on Yx Zr x Ba2Cu3Ot7−δ and Y1−2x Zr x Eu x Ba2Cu3O7−δ superconducting compounds, in the temperature range 4.2–500 K and external fields up to 50 kOe are reported. The presence of zirconium decreases the superconducting transition temperatures,T c. BelowT c, the hysteresis loops narrow when the zirconium content increases. From the magnetization curves, the critical current densities were determined. A time dependence of the magnetizations of logarithmic form was found. The flux-pinning energy was estimated to beU ≃0.03 eV. Above the transition temperatures, Yx Zr x Ba2Cu3Ot7−δ samples show a Pauli-type paramagnetism, while Y1−2x Zr x Eu x Ba2Cu3O7−δ compounds have, in addition, temperature-dependent contributions to the magnetic susceptibilities. The effective europium moments are ∼3.40 μB suggesting that the ion is in (+3) valence state.  相似文献   

16.
17.
A novel Li-based spinel compound with the composition of MgLi2/3Ti4/3O4 was synthesized by the conventional solid-state reaction method. The phase structure was studied by X-ray diffraction (XRD) technique. When the calcination temperature was over 1050 °C, a single phase compound which has a cubic structure [Fd-3m (227)] with cell parameters of a = 8.4057 Å, V = 593.91 Å3, ρ = 3.51 g cm3 and Z = 8 was obtained. MgLi2/3Ti4/3O4 ceramic could be well densified after sintering above 1125 °C. The microwave dielectric properties were measured using a microwave vector network analyzer in the frequency range of 7–9 GHz MgLi2/3Ti4/3O4 ceramic sintered at 1125 °C for 2 h showed microwave dielectric properties of ?r = 20.2, Q × f = 62,300 GHz, and τf = −27.1 ppm °C1. Furthermore, 0.95MgLi2/3Ti4/3O4–0.05CaTiO3 ceramic sintered at 1200 °C for 2 h exhibited good properties of ?r = 22.6, Q × f = 48,000 GHz, and τf = −2.3 ppm °C1.  相似文献   

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20.
Solid solutions of (1 − x)BaTiO3xK0.5Bi0.5TiO3 were prepared by the solid state reaction technique. Samples were sintered in reducing atmosphere of N2/H2 in the temperature range 1100–1240 °C with subsequent oxidation at 700 °C. Phase composition and crystal structure were investigated by X-ray powder diffractometry (XRPD). It was shown that all samples of (1 − x)BaTiO3xK0.5Bi0.5TiO3 (0 ≤ x < 0.4) exhibit a tetragonal structure at room temperature, the parameters a and c decrease with increasing x. With increasing x the Curie temperature of solid solutions (1 − x)BaTiO3xK0.5Bi0.5TiO3 (0.1 ≤ x < 0.4) increases from 150 to 220 °C. The values of potential barriers at grain boundaries were calculated on the basis of Heywang model. With increasing x, the potential barrier at grain boundaries increases. It was shown that the grain size decreases with increasing the bismuth–potassium titanate content. The complex impedance results indicate that the grain boundary and the outer layer region, located between the boundary and the core of the grain, make a contribution to the positive temperature coefficient of resistance (PTCR) effect in (1 − x)BaTiO3xK0.5Bi0.5TiO3 solid solutions. With increasing x ρmax increases due to an increase in potential barrier at grain boundaries.  相似文献   

Symbols
CpHeat capacity.
gAcceleration due to gravity.
GmMolar vaporisation rate.
hLatent heat with two suffices denoting phase change.
hPool thickness (no suffices).
iEnthalpy.
k,KConstants.
KA,KBFunctions of pool temperature and composition.
kwThermal diffusivity of water.
lDepth in water where temperature is constant.
LLength scale of an oil spill.
LmMolar liquid spill rate.
LwiLatent heat of fusion of ice.
MPool mass, M0 initially.
Ms,MvMass spilled, mass vaporised.
qHeat flux to cryogenic liquid.
rRadial co-ordinate
R,R*Radius of pool.
tTime.
TTemperature.
UVelocity.
WmNumber of moles of material in the pool.
xAMolar methane portion of liquid pool (xB, ethane).
xASMolar methane portion of spilling liquid.
yAMolar methane portion of vapour (yB, ethane).
zVertical coordinate.
δVapour layer thickness.
ΔTTemperature difference.
?Ice layer thickness.
θTemperature relative to freezing point of water.
λEffective thermal conductivity.
μViscosity.
?Density.
σSurface tension.
øHeat flux to liquid pool = q.
Suffices
AAverage (or methane fraction with x,y).
BBoiling point of cryogen (or ethane fraction with x,y).
fcFilm collapse.
fgLiquid to vapour phase change.
FFreezing of water.
iIce.
l, LLiquid.
lvLiquid to vapour phase change.
LELeading edge.
mMolar.
OInitial
oOil.
pPool.
sSpilling liquid.
vVapour.
wWater.
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