ライフサイエンスコーパス: descriptor

1 subtracted, was found to be a more relevant descriptor.

2 ut they improved with the specificity of the descriptor.

3 nt and/or conventional methods as a hardness descriptor.

4 ient mathematical representation, 3D Zernike Descriptor.

5 erimental results together with one computed descriptor.

6 ecause of the lack of a universally accepted descriptor.

7 structure-fragmentation relationship (QSFR) descriptor.

8 s), where each SVM is trained on a different descriptor.

9 f Decision Forest (DF) with Mold2 structural descriptors.

10 similarity between database and query image descriptors.

11 based on pharmacokinetic-relevant molecular descriptors.

12 e experiments to give reactivity-selectivity descriptors.

13 green apple, fruity and tropical fruit aroma descriptors.

14 printed 89 individuals using 28 odors and 54 descriptors.

15 er lesion for the presence of predefined RCM descriptors.

16 y related to green and spice-related sensory descriptors.

17 their phrases provided succinct or powerful descriptors.

18 = 0.83) derived indexes along with in silico descriptors.

19 eceased organ donation, and sociodemographic descriptors.

20 ngth are essential but incomplete reactivity descriptors.

21 atures are extracted using efficient feature descriptors.

22 by applying vector quantization on the image descriptors.

23 ts on average by further optimization of the descriptors.

24 ucture; all with exactly the same allosteric descriptors.

25 and used to calibrate the pp-LFER substance descriptors.

26 quire a priori identification of significant descriptors.

27 i for bisolute adsorption based on molecular descriptors.

28 selected "food-packaging-environment" system descriptors.

29 orphology and proliferation as well as other descriptors.

30 ased, skeleton-based, and PC-specific object descriptors.

31 of oxidation to various calculated molecular descriptors.

32 vailable for generating this wide variety of descriptors.

33 rms of structural, electronic and mechanical descriptors.

34 Four shape descriptors, 10 first-order metrics, and 26 textural fea

35 This new class of descriptors affords multivariate correlations for two di

36 In ILD and COPD, descriptors alluding to inspiratory difficulty were sele

37 ing randomly selected sets of 7 odors and 11 descriptors alone.

38 is to build similarity maps in the molecular descriptor and spectral domains.

39 (SVMs), with each SVM trained on a specific descriptor and the results of each SVM combined by sum r

40 y image by (1) extracting quantitative image descriptors and (2) calculating similarity between datab

41 We also use gist descriptors and an improved version of GCO matrices to e

42 tionships between minerality scores, sensory descriptors and chemical composition.

43 18 years) separately by using technical dose descriptors and estimated effective dose.

44 to classify sequences according to measured descriptors and has potentially many uses in distilling

45 ted three approaches for selecting molecular descriptors and identified the principal component analy

46 multiple linear regression between Abraham's descriptors and nature log of selectivity, induced dipol

47 ts potentially informative summary molecular descriptors and outputs chemical structure-informed fals

48 ion needed for the use of PP-LFERs including descriptors and parameters is scattered over a large num

49 The solute descriptors and system parameters reported in the litera

50 sh correlations between these catalyst-based descriptors and the regio-, diastereoselectivity, and ra

51 dologies, unlike the total energy, are local descriptors and therefore can be used to directly compar

52 ed by age, gender, and weight using chemical descriptors and use information from multiple databases

53 gher odor threshold concentration, different descriptors, and an even wider individual response range

54 reaction, the introduction of conformational descriptors, and the use of computed interaction energie

55 of perceived odorant similarity derived from descriptors applied to the odorants.

56 Hence, the quantum molecular orbital descriptors are an alternative to sigma and sigma*-value

57 Five descriptors are capable of explaining roughly 50% of the

58 matic descriptors are discussed, and several descriptors are compared and contrasted.

59 The duplex flexibility descriptors are derived from extended molecular dynamics

60 Studies that have employed aromatic descriptors are discussed, and several descriptors are c

61 ers, structure representations, and property descriptors are essential to the activities of sharing a

62 a Wheels" showed that the classes of sensory descriptors are first fruity and floral, next fatty and

63 It is shown that these descriptors are in good agreement with DFT calculations,

64 However, such descriptors are not available in most cases as most PPI

65 ce that more comprehensive functional effect descriptors are required if they are to be of value to t

66 sociation energies, partial charges, density descriptors as encompassed by the QTAIM methodology (rho

67 antic similarity computed between phenotypic descriptors associated with each gene and those describi

68 Here, we propose a descriptor based on the heuristics that structural and e

69 ew simple algorithm that selects the texture descriptors based on initial set heuristically chosen.

70 ble compositions and demonstrates that smart descriptors, based solely on alloy properties available

71 The catalyst was identified through a descriptor-based analysis of the process and the use of

72 further enhance the discriminative power of descriptors by learning convolution kernels to reduce th

73 activation barriers using a single universal descriptor can be established.

74 coefficient (L), and three polar interaction descriptors can accurately describe partition coefficien

75 Variations in these descriptors can be interpreted as arising from changes i

76 rties, including cell and nuclear morphology descriptors, cell-cycle phase, and F-actin content of th

77 In this paper, we introduce a new radiomic descriptor, Co-occurrence of Local Anisotropic Gradient

78 The method is performed using descriptors comprised of atomic NMR chemical shifts ((13

79 puts for the pp-LFERs are a set of numerical descriptors computed from molecular structure only that

80 Study descriptors consistent with single-phase unenhanced CT f

81 enetic algorithm (GSD-model) to shortlist 24 descriptors covering constitutional, topological, geomet

82 odels, from which 3D-molecular fields and 2D-descriptors critical for the TNIK inhibitor activity wer

83 fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding str

84 Reactivity descriptors describe catalyst properties that determine

85 og units, if the chosen equations and solute descriptors do not allow chlorine substitution in the or

86 command-line tools in so-called Common Tool Descriptor documents.

87 s evaluated in terms of four electrochemical descriptors: exchange current density, on-set potential,

88 The CCS is a physical descriptor extracted from the reduced mobility (K0) meas

89 m that is based on combining several protein descriptors extracted from different protein representat

90 ine learning system based on several protein descriptors extracted from several protein representatio

91 We find that individual functional effect descriptors fall short of being able to adequately chara

92 ation energy of the *OCCOH intermediate as a descriptor for C-C coupling, identifying two active site

93 ators to use "inflammatory modulator" as the descriptor for C3a.

94 Both the utility of the band-gap energy as a descriptor for catalytic activity and the role of orbita

95 e identify the adsorbate-binding energy as a descriptor for certain molecular vibrations and rigorous

96 he use of CCS as a highly specific molecular descriptor for identifying lipids in biological samples.

97 ytical chemistry, the CCS is approached as a descriptor for ion identification and it is also used in

98 ween hydrogen bonded peptide planes as a new descriptor for protein structure locally around a hydrog

99 that the kinetic barrier should be used as a descriptor for reactivity, rather than the equilibrium t

100 doping elements, which serves as an activity descriptor for the entire family of p-block element dopa

101 hydrogen binding energy is the sole reaction descriptor for the hydrogen oxidation/evolution activity

102 active surface hydroxyl groups as a suitable descriptor for the OER activity and relate it to control

103 ation in the octahedral site is the activity descriptor for the ORR/OER of spinels, consolidating the

104 lmost exclusively been used as a qualitative descriptor for velocity induced by an acoustic field.

105 , we analyzed cheminformatic and shape-based descriptors for 104 RNA-targeted ligands with demonstrat

106 Computed descriptors for acyclic diaminocarbene ligands are devel

107 en Gibbs free energy of sorption and Abraham descriptors for all 20 compounds, polarity/polarizabilit

108 f-the-art computational methods developed as descriptors for aromaticity together with a critical eva

109 We list molecular descriptors for AUX1 substrates and discuss our findings

110 mics by incorporating quantitative molecular descriptors for each metabolite.

111 method combination best suited for deriving descriptors for environmentally relevant compounds.

112 partition coefficients as well as the solute descriptors for FTOHs and cVMS were recalibrated in this

113 Results Three hundred four study descriptors for kidney stone CT corresponding to data fr

114 roup study was performed to identify sensory descriptors for Kitoza products and explore product perc

115 Our analysis also reveals that two classic descriptors for ligand steric environment-cone angle and

116 Over the past decade, PP-LFER solute descriptors for numerous environmentally relevant organi

117 d calcium were found to be the best chemical descriptors for origin.

118 ived systemic inflammatory response syndrome descriptors for sepsis prediction and diagnosis in a pol

119 n the nonspecific interactions and Abraham's descriptors for the adsorption of all 32 solutes on the

120 372 food descriptors from nine food groups (4.4% of all food code

121 ein and gene annotation and capture sequence descriptors from sequence records then map these metadat

122 essfully predicted 8 among 19 rated semantic descriptors ("garlic," "fish," "sweet," "fruit," "burnt,

123 s with a range of parameters and statistical descriptors, giving 143 in total, were evaluated.

124 ationship ((Q)SAR) analysis to show that the descriptors governing the distinct mechanisms of acute f

125 ifier outperformed state of the art radiomic descriptors (Haralick, Gabor, Histogram of Gradient Orie

126 This descriptor has applied to sphingolipids for over a centu

127 Such a descriptor has predictive power and enables effective de

128 Accordingly, PSSM-based feature descriptors have been successfully applied to improve th

129 om farmer interviews and morphological plant descriptors, have inherent uncertainty levels.

130 Extent of color vision deficiency and color descriptor heterogeneity significantly predicted agreeme

131 f better-eye visual field (VF) damage, color descriptor heterogeneity, or color vision deficiency, as

132 Neuroanatomical shape descriptors, however, can represent complex geometric in

133 ion model generated from nucleotide sequence descriptors identified two trinucleotide motifs (TCC and

134 ed a novel approach, termed EDICTS (Epi-mark Descriptor Imaging of Cell Transitional States), to disc

135 amic systemic inflammatory response syndrome descriptors improved specificity of sepsis prediction an

136 ifying the mixture refractive index as a key descriptor in predicting vehicle effects.

137 scheme, which included positive and negative descriptors in 6 major categories according to consumer

138 erturbation of normal modes alongside pocket descriptors in a machine learning approach that ranks th

139 /1e(-) processes, and could serve as primary descriptors in development of the QSAR (quantitative str

140 to understand the performance of haemorrhage descriptors in large clinical trials.

141 ligands served as highly correlative steric descriptors in the regression models.

142 kO3 predictions by quantum molecular orbital descriptors in this study and by the Hammett (sigma) and

143 rsus clinically overt severe sepsis syndrome descriptors included the following: age, 7.3 +/- 5.5 ver

144 Sociodemographic descriptors including age, sex, and country of origin, a

145 (generate subpopulations) more than 70 cell descriptors, including cell size, age and fluorescence.

146 d have computed a variety of microstructural descriptors, including the radial distribution function,

147 t (P < 10(-10)), which was odor specific but descriptor independent.

148 Reactivity descriptors indicate that this trend will continue also

149 The resulting molecular descriptors indicated clear differences in the sorption

150 The validation experiments compared chemical descriptors, initialization methods and classification a

151 The identification of the reaction descriptor is therefore of critical importance for the r

152 Within the context of reactivity descriptors known in conceptual DFT, the linear response

153 The tool enhances the RNAbob descriptor language, allowing insertions in helices, whi

154 at the spatial neighborhood on the molecular descriptors map is highly correlated with the spectral n

155 uld be considered, and that simple molecular descriptors may be used to identify the more recalcitran

156 findings were recorded, with addition of the descriptor MB similar-appearing circumscribed masses (mi

157 We introduce the calorimetric descriptor "metabolic capacity" and show that it correla

158 The other new threshold descriptor, minimal limit distance (dilim) derived from

159 of this variability was explained by forest descriptors, namely small variations in canopy structure

160 Conjunctival hemodynamic descriptors, namely vessel diameter (D), blood velocity

161 Percentage of cases with a problem descriptor, number of treatment sessions, and percentage

162 e potential to serve as a system-independent descriptor of aerobic biotransformation at the water-sed

163 so suggest that DeltaSads-H+ is a meaningful descriptor of confinement for zeolites having similar ch

164 MM identified a four-state model as the best descriptor of diving behaviour.

165 Delayed onset of muscle activation can be a descriptor of impaired motor control.

166 e of electron delocalization, as a candidate descriptor of inhibitor potency.

167 ied, is suggested to serve as a quantitative descriptor of Li bond strength.

168 ns (IAM-HPLC) is widely used as experimental descriptor of lipophilicity.

169 ol, which can be used either as a standalone descriptor of other biopolymers' assembly or as a compon

170 sh ced as a readily accessible, quantitative descriptor of solvophobic association in a range of chem

171 -halenium affinity (HalA)- as a quantitative descriptor of the bond strengths of various functional g

172 ationship analysis revealed that hydrophobic descriptor of the polyketide compounds significantly con

173 We propose a quantitative descriptor of the shape of local pressure-volume curves

174 ts (KIEs) has emerged as the "gold standard" descriptor of these reactions.

175 The current understanding of an elementary descriptor of wrinkles--their wavelength--is restricted

176 he trans-4-MCHM is the dominant odorant with descriptors of "licorice" and "sweet".

177 l) and nonclassical (fingerprints) molecular descriptors of 1383 compounds, encompassing different ch

178 he domain of physical parameters - molecular descriptors of a drug, and terahertz (THz) spectra.

179 this paper, we review the different existing descriptors of aromaticity that are based on electron de

180 ary kinetic steps and their precise chemical descriptors of bimolecular particle agglomeration, B + B

181 l activity of nanoceria and to define global descriptors of engineered nanoparticles (ENPs) bioactivi

182 ddress the question of whether comprehensive descriptors of fatness, central hemodynamics and renal c

183 y correlated with LVM in comparison to other descriptors of fatness.

184 d accruing evidence indicates economic-based descriptors of human behavior may be particularly useful

185 ed upper-ocean circulation patterns are poor descriptors of inter-regional connectivity, complicating

186 Descriptors of Malbec wines were aromas of cooked vegeta

187 Published physicochemical descriptors of molecules that convey aromaticity-related

188 We derived descriptors of motion detectors in native space-time, an

189 a minimal or insignificant effect on global descriptors of network architecture, such as connectance

190 taining, and Schirmer's score), and clinical descriptors of neuropathic ocular pain (NOP) (sensitivit

191 ment between climate models to simulate such descriptors of rainfall is generally poor.

192 Predictive descriptors of reactivity for general classes of acids t

193 were extracted from the optogenetic assay as descriptors of sarcomere functions.

194 The descriptors of signal events between two interacting pro

195 however, about the structure and statistical descriptors of such packings.

196 t shape within the scene, bolstered by local descriptors of that shape.

197 We show that simple structural descriptors of the associated multiplex networks allow t

198 ost critical brain exposure determinants are descriptors of the molecular size and hydrogen bond capa

199 ter analysis involving steric and electronic descriptors of the NHC ligand in the form of the buried

200 ance, suggesting that both percepts are poor descriptors of the perceptual cues used by birds for thi

201 f SOA can be achieved by a concise number of descriptors of the precursor hydrocarbon including the n

202 acted hydrocarbon concentration, and further descriptors of the precursor hydrocarbon, including carb

203 In addition to the Abraham molecular descriptors of the solutes, the explanatory variables al

204 Olfactive descriptors of the wines and the potential aroma of the

205 Descriptors of wave reflection are not associated with l

206 l and peripheral blood pressure but not with descriptors of wave reflection.

207 f ES(r) are computationally inexpensive, the descriptor offers fast but accurate reactivity predictio

208 Predetermined numerical features (descriptors) often used to quantify cells extracted from

209 For the latter case, local descriptors omegak(+)(r) were estimated for the atoms wi

210 Calibration statistical descriptors on milk dried on paper were good for capric,

211 The development of a descriptor or descriptors that can relate the activity o

212 cations exhibiting high heterogeneity [>/=11 descriptors], P = 0.007).

213 The selection of calculated descriptors (pKa, EHOMO, and Eox) was based on validatio

214 ach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments.

215 Elliptical Fourier descriptors provide a global analysis of leaf outlines a

216 , and the design principles derived from the descriptors provide an approach for rational design of n

217 A new descriptor Q, essentially the scaled difference between

218 inclusion probability for summary molecular descriptors reaches 0.97.

219 dium model by introducing a single-parameter descriptor, reff.

220 A topological descriptor related to molecular size (SPAN) was isolated

221 molecular size (SPAN) was isolated next to a descriptor related to the atomic composition and structu

222 The predictive potency of descriptors related to the energetics of second PCET mec

223 al species interferes with the assignment of descriptors related to the ORR activity and stability.

224 QSPR) model to find the best physicochemical descriptors relating to the ESI response from molecular

225 Strikingly, this rotational descriptor sampled over high-quality structures from the

226 Eight RCM descriptors showed fair to good reproducibility and were

227 Mechanistic evaluation of descriptors showed that models did not require comprehen

228 eletions, and natural resonance theory (NRT) descriptors, showing the general connection between cumu

229 Our approach, by defining materials descriptors solely based on the bulk materials propertie

230 representation of the high dimensional image descriptor space to avoid the curse of dimensionality.

231 The latter descriptors strongly correlated with volatiles discrimin

232 Here, a descriptor study on the ORR/OER of spinel oxides is pres

233 , providing quantitative analysis of network descriptors such as fibril diameter distribution, length

234 ooked when translating quantitative genetics descriptors such as heritability and per-locus r(2) to m

235 ds that principally rely on the computing of descriptors such as lipophilicity (cLogP) and topologica

236 extraction and interpretation of key cluster descriptors such as the number of clusters, cluster radi

237 Fundamental structural descriptors such as the pair correlation function, struc

238 Common descriptors such as the substrate-hydroxide binding ener

239 General descriptors such as type of journal, nursing speciality,

240 Theoretical descriptors, such as deprotonation energies (DPE), rigor

241 Classic physical organic molecular descriptors, such as Hammett, Taft or Charton parameters

242 Study descriptors, such as species/strain, route of administra

243 tissue and using important yet still generic descriptors, such as thickness (hypertrophy) and functio

244 hree systemic inflammatory response syndrome descriptors summarized the 24 hours after admission and

245 such as stereochemical assignments, chemical descriptors, systematic chemical names and idealized coo

246 Phenotypic descriptor terms are taken from the Human Phenotype Onto

247 ropose to use a high-dimensional multi-modal descriptor that combines multiple texture features.

248 of patients with a phenotypic and genotypic descriptor that will clarify etiology, provide prognosti

249 ialized feature selection models we identify descriptors that are highly specific and, conversely, br

250 The development of a descriptor or descriptors that can relate the activity of catalysts to

251 Here we show that a group of combinatorial descriptors that characterize the polar character, latti

252 raisining and fortification--to show the key descriptors that contribute to their separation and defi

253 d a discriminative model based on 3D feature descriptors that detected the centers of synaptic marker

254 n of a catalyst can be guided by identifying descriptors that determine its activity.

255 cation of power or Holder means to construct descriptors that generalize over chemistry and crystal s

256 oning is generally accepted, but categorical descriptors that summarize species-specific contribution

257 The array of structural descriptors that we deploy enable us to distinguish betw

258 A local multiorbital electrophilicity descriptor, the local electron attachment energy [E(r)],

259 Among several physics-based descriptors, the slightly modified Pettifor chemical sca

260 can generate 21 types of PSSM-based feature descriptors, thereby addressing a crucial need for bioin

261 ergy and determine the optimal value of this descriptor to be very close to that of copper.

262 Physicians matched each color descriptor to the medication they thought the descriptor

263 We applied invariant image feature descriptors to capture local gene expression information

264 entation, we applied invariant image feature descriptors to capture local statistics from ISH images

265 in tuning selectivity, and identify the key descriptors to control the activity and, in particular,

266 Patients produced 102 unique color descriptors to describe the colors of the 11 bottle caps

267 We use these descriptors to estimate human exposure to 7968 chemicals

268 the encoding of reactions through signature descriptors to explore sensing-enabling metabolic pathwa

269 CCS values were used as additional molecular descriptors to identify brain lipids using a variety of

270 computable virus surface charge and polarity descriptors to predict virus adsorption to solid-water i

271 to restrict by evidence code, to remap gene descriptors, to filter by set size and to speed up repea

272 ofiles of the strawberry guava pulp with the descriptor "tomato" and the lemon guava pulp with the de

273 nts of extra-virgin olive oil to the sensory descriptors: tomato, bitter, pungent, rosemary, artichok

274 the contribution of each selected molecular descriptor toward the overall predicted value.

275 The final database collated demographic descriptors, treatment procedures as per Current Procedu

276 r "tomato" and the lemon guava pulp with the descriptor "tropical fruit".

277 Five descriptor types were used: (i) nucleotide position alon

278 crophage activation encompasses a panoply of descriptors used in different ways.

279 investigation of different types of chemical descriptors used to build the structure-retention relati

280 (R(2) = 0.98) correlations are found between descriptor values and experimental reactivity data for s

281 nd subjected to correlation analysis against descriptor variables that ranged from general purpose [H

282 cles (one of the most relevant morphological descriptors) varies from site to site, and increases wit

283 ization of molecules, calculation of various descriptors, visualisation of molecular structures, and

284 escriptor to the medication they thought the descriptor was describing.

285 or, based on eight software-chosen molecular descriptors, was optimized using CCS values of 205 small

286 Using this descriptor we suggest continuous tunability of the optic

287 ta, we determined that using 34 odors and 35 descriptors we could individually identify each of the 7

288 Equipped with these combinatorial descriptors, we have carried out a HT screening of all t

289 Physically relevant compound descriptors were computed to examine the differences in

290 Moreover, when a total of 57 molecular descriptors were examined, the degree of branching as qu

291 The most common pain descriptors were tender, tiring-exhausting, aching, cram

292 Color descriptors were then presented to 3 physicians.

293 Then, field points based descriptors were used to develop a 3D-QSAR model by alig

294 Both local and global reactivity descriptors were used to study the regioselectivity of t

295 tion errors were <1 log unit when literature descriptors were used, and the errors were reduced to <0

296 rate is also investigated and, using hotspot descriptors which model cooperative effects within hotre

297 sentation of EM maps based on the 3D Zernike descriptor, which is derived from a mathematical series

298 Including a genic (and allelic) descriptor with the disease name will provide outcome cl

299 The main outcome was identification of RCM descriptors with fair to good interrater agreement (kapp

300 riate analysis using composition and polymer descriptors yielded a strong correlation (r(2)=0.72) to