ライフサイエンスコーパス: chemical structure

1 ed nanoparticles without modification of the chemical structure.

2 ally new approach to the characterization of chemical structure.

3 re not random but depend at least in part on chemical structure.

4 determination because of their similarity in chemical structure.

5 n compared to other molecules with different chemical structure.

6 imers based on their rigid, shape persistent chemical structure.

7 of future inhibitor molecules based on this chemical structure.

8 a repeat structure, indicative of an altered chemical structure.

9 or differential transport, likely related to chemical structure.

10 mixing with the matrix polymer with the same chemical structure.

11 This effect was dependent on their chemical structure.

12 anced through suitable modification/s in its chemical structure.

13 R and Raman spectroscopies further proved it chemical structure.

14 alyses of the main TP confirmed its proposed chemical structure.

15 eded, which describe the effect of modifying chemical structure.

16 ion polyhedron is essential to understanding chemical structure.

17 scaffold queries increasingly abstract from chemical structures.

18 redict ER activity of a common set of 32,464 chemical structures.

19 in the context of incremental changes of the chemical structures.

20 with an aldehyde to generate a range of new chemical structures.

21 ands in similar positions despite dissimilar chemical structures.

22 which involve significant changes in ligand chemical structures.

23 d varied physiological functions and similar chemical structures.

24 and nondestructive characterization of local chemical structures.

25 of a large number of compounds with diverse chemical structures.

26 pansions of public and commercial sources of chemical structures.

27 issue specificities driven by their inherent chemical structures.

28 roperties, high surface area, and analogy to chemical structures.

29 nnect two diseases if they relate to similar chemical structures.

30 o generate up to six periodic spatiotemporal chemical structures.

31 iological functions and adopt a diversity of chemical structures.

32 s not yet been made because of their similar chemical structures.

33 actors such as biased disease indications or chemical structures.

34 xanthophylls were closely dependent on their chemical structures.

35 ences in closely related species and similar chemical structures.

36 (as agonists or antagonists) and simplified chemical structures.

37 identifying molecular formulas to proposing chemical structures.

38 profiles of SCFAs from fibers with different chemical structures.

39 different components are controlled by their chemical structures.

40 ormatics to visualize complex biological and chemical structures.

41 ules, avoiding the need to disclose the full chemical structures.

42 nize a spectrum of substrates with different chemical structures.

43 echniques to capture a broad distribution of chemical structures.

44 e range of biological activities and complex chemical structures.

45 of donor and acceptor molecules of different chemical structures.

46 Despite similarities in chemical structure, 2-arachidonoyl glycerol and anandami

47 By comparing the chemical structures, 4 compounds that might be able to o

48 profiling shows that 11 lipids with specific chemical structures accumulate in dividing cells.

49 DCUK-OEt is a novel chemical structure acting as a PAM at particular GABAA r

50 etones derivatives, represent a new class of chemical structures active on TRPA1 with many potential

51 The relationships between chemical structure, activity, and selectivity were inves

52 enhancers, were designed on the basis of the chemical structure/activity relationships rather than th

53 Their chemical structure allows the insertion of reporter mole

54 secondary organic aerosol formation based on chemical structure alone, we predicted and compared KS f

55 al methods to distinguish not only different chemical structures among PAHs but also their concentrat

56 omain in E. coli was necessary to facilitate chemical structure analysis and to produce a mimetic Kdo

57 ctures matched the purified compound in both chemical structure and AHR pharmacology.

58 vergent phenazine cluster with potential new chemical structure and antimicrobial activity.

59 tuitive construct to predict and rationalize chemical structure and behavior.

60 cently deployed PubChem Upload to streamline chemical structure and bioassay submissions.

61 ivity and discusses the relationship between chemical structure and biological processing--including

62 Further analysis of the chemical structure and cellular localization of DAG in s

63 sults highlight the importance of taking the chemical structure and cellular localization of DAG into

64 itecture as well as atomic-level DNA and dye chemical structure and composition.

65 nces of diacetylene (DA) monomer, and the TC chemical structure and concentration on the colorimetric

66 To understand the influence of the chemical structure and crystal packing of conventional r

67 ccelerate the study of relationships between chemical structure and delivery in vivo.

68 t can be distinguished on the basis of their chemical structure and describe recent advances in the b

69 stallography can play in characterizing both chemical structure and dynamics within functioning enzym

70 ed peaks can aid in the determination of the chemical structure and fragmentation mechanism of the qu

71 The chemical structure and function of biomacromolecules has

72 also evidencing the correlation between MIP chemical structure and its rebinding ability.

73 mainly be due to their marked difference in chemical structure and matrix distribution.

74 unctional with drug pairs defined by similar chemical structure and mode of action but divergent toxi

75 The differences in the chemical structure and molecular organisation detected b

76 systematic study of the relationship between chemical structure and morphology in the solid state usi

77 ANES) spectroscopy, information on the local chemical structure and oxidation state of an element of

78 the compounds suggest novelty, particularly chemical structure and possible greater separation from

79 cribed here was designed to characterize the chemical structure and properties of dG-AP cross-links g

80 (dA) residues was recently reported, but the chemical structure and properties of this lesion were no

81 arious analytical techniques, confirming its chemical structure and properties.

82 Despite intensive study, Pel's chemical structure and spatial localization within matur

83 , indicating a restricted difference towards chemical structure and stoichiometric ratio.

84 mists and biologists owing to its intriguing chemical structure and the medicinal potential of phorbo

85 n the reaction mechanism at the cathode, the chemical structure and the morphology of the reaction pr

86 s usually predict drug BBB permeability from chemical structure and they generally apply to small com

87 ionships (QSARs) to predict HLT and HLB from chemical structure and two novel QSARs are detailed.

88 derivatives of graphene, having well-defined chemical structure and well-defined chemical bonds, are

89 al substance descriptions, 60 million unique chemical structures and 225 million bioactivity assay re

90 onally examined drug pairs that have similar chemical structures and act on the same molecular target

91 cer drugs and the relationship between their chemical structures and biological properties.

92 This iteration of the database reports chemical structures and empirically-determined activitie

93 verse group of natural products with complex chemical structures and enormous pharmaceutical potentia

94 iques used to provide information related to chemical structures and functional groups of target anal

95 these two parent ions are dependent on their chemical structures and on instrumental parameters such

96 tracted extensive interest for their diverse chemical structures and potent biological activities.

97 ing properties of nanocarriers depend on the chemical structures and properties of their building blo

98 se general rules govern our understanding of chemical structures and reactions.

99 verview of the different LTA types and their chemical structures and synthesis pathways.

100 Although the chemical structures and systems designed and studied tod

101 to investigate the morphology, the specific chemical structures and the mechanical strength of the a

102 In this Review, we detail chemical structures and their relevant photophysical fea

103 or mapping the extracted chemical names into chemical structures and their subsequent annotation toge

104 1d have been shown to cover a broad range of chemical structures and to follow precise rules determin

105 hetic community because of their interesting chemical structures and varied biological activity.

106 and differentiation of analytes with similar chemical structures are widely needed.

107 domain of the model since it solely requires chemical structures as an input.

108 to match the detected features to candidate chemical structures based on their mass and predicted fr

109 PAHs represent a range of chemical structures based on two or more benzene rings a

110 This compiled knowledgebase provides a chemical structure-based approach for identifying PBPK m

111 119620 was displaced by compounds of similar chemical structure but not by previously described mAChR

112 Only recent developments in resolving chemical structures by atomic force microscopy (AFM) and

113 Merging these singular chemical structures by noncovalent forces has provided a

114 mic level synthetic control over a polymer's chemical structure can reveal new insights into the crys

115 Contaminants of varying chemical structures can alter the membrane fluidity in e

116 The stability of these chemical structures can vary greatly as a function of ch

117 Our data introduce a hereto unexploited chemical structure class active against M. abscessus inf

118 ining aroma compounds representing different chemical structure classes (ethyl esters, 2-nonanone, be

119 Despite its similar chemical structure, CLSS-1 displays lower selectivity to

120 Their chemical structure combines an intercalating anchor with

121 rominated compounds of drastically different chemical structures, confirming PARCI's ability to quant

122 lecules that undergo orchestrated changes in chemical structure, conformational state, and partners.

123 e most studied molecular semiconductors; its chemical structure consists of a tetracene backbone with

124 ulation helped to identify the most probable chemical structures corresponding to these new isobars w

125 on and is hypothesized to contain cutin-like chemical structures cross-linked with hydroxamate functi

126 inical small-molecule compounds by combining chemical structure (CS) and gene expression (GE) feature

127 We performed a chemical structure database similarity search using LCA

128 ple annotations including (where relevant) a chemical structure, database cross-references, synonyms

129 y remains an invaluable contactless probe of chemical structure, details of which offer clues to the

130 and ERbeta ERE-mediated activities, similar chemical structure did not correlate with previously rep

131 al focus on nonclassical TLR4 ligands with a chemical structure different from that of lipid A.

132 the tissue sample, making identification of chemical structures difficult.

133 It is often assumed that chemical structure diversity leads to diverse biological

134 ashing of the open-source exploration of the chemical structure diversity of nonisotopic reagents to

135 k topology outperforms the ones derived from chemical structure (drugs) or genomic sequence (targets)

136 ompared with synthetic polymers with similar chemical structure due to its hierarchical structure com

137 r electron ionization (CFM-EI) that, given a chemical structure (e.g., in SMILES or InChI format), co

138 due to their high binding affinities, stable chemical structures, easy production, and established se

139 hemistry standpoint, the relationships among chemical structure, electronic structure, and optical pr

140 produces data that is especially useful for chemical-structure elucidation and compound identificati

141 hem, and the Compound database stores unique chemical structures extracted from the Substance databas

142 an indole diterpenoid that bears a daunting chemical structure featuring a disubstituted carbazole u

143 available, the successful elucidation of the chemical structure for candidates with up to 30 heavy at

144 ation, we provide an almost complete primary chemical structure for the epitope, which is that of a c

145 spectrometry (MS) was used to determine the chemical structures for a total of 15 novel polyhalogena

146 observations will be useful in designing new chemical structures for biological applications.

147 The diverse chemical structures found in this metabolite class origi

148 from FDA Adverse Event Reporting System, and chemical structures from PubChem.

149 nge of structures, the vastness in number of chemical structures from the perspective of the bacteria

150 eristics of drugs, targets and DTIs, such as chemical structure, genome sequence, binding types, caus

151 rant interactions from a large collection of chemical structures (>240,000) for receptors that have b

152 s been shown to be an efficient tool for the chemical structure identification (CSI) of isomers with

153 labeled standard library or mass-matched to chemical structures in human metabolome databases.

154 on the Metabolomics Workbench are linked to chemical structures in the metabolite structure database

155 Although EDCs with similar chemical structures (in the same group) tended to have c

156 For chemical structures, in addition to the 3D model generat

157 ve summary molecular descriptors and outputs chemical structure-informed false discovery rates.

158 ific technique, can assist the researcher in chemical structure interpretation.

159 Without defined chemical structure, interpretation of the biochemical re

160 However, chemical structures involving conjugated C horizontal li

161 The chemical structure is based on a rotaxane, a molecular r

162 gap law so far since no modification of the chemical structure is involved.

163 commercially available; however, because its chemical structure is not publicly disclosed, it is not

164 Its chemical structure is the basis of all flavonoids presen

165 semblies are remarkably sensitive to primary chemical structures, leading to highly diverse, thermody

166 e escherichelin, a second metallophore whose chemical structure matches a known synthetic inhibitor o

167 This suggests that PFAS chemical structure might not be necessarily predictive o

168 cal space and mine the relationships between chemical structure, molecular properties, and biological

169 ldaprevir), and ribavirin were classified by chemical structure, molecular weight, total daily dose,

170 the outer membranes, most likely due to its chemical structure more closely resembling a lipid bilay

171 Further optimization of the chemical structure of (18)F- AMC20: can lead to (18)F-la

172 The chemical structure of a Cu(111) model catalyst during th

173 By slight modification to the chemical structure of a known microtubule inhibitor, com

174 s of physiological and behavioral tests, the chemical structure of a mouse alarm pheromone.

175 e oligomannose mimetics, based on the unique chemical structure of a recently identified bacterial li

176 s, we demonstrate that subtle changes in the chemical structure of a transient mixed-disulfide interm

177 99cm(-1), which may be attributed to complex chemical structure of AFM1.

178 ptor, free fatty acid receptor 1, the simple chemical structure of AH-7614 containing features found

179 a short-chain ester that contains the basic chemical structure of biodiesel fuels.

180 furanose ring is a central component of the chemical structure of biological nucleic acids.

181 We found that the chemical structure of conjugated drugs could strongly in

182 ructures that can be tailored by varying the chemical structure of copolymeric building blocks, givin

183 The microstructure and chemical structure of CPCMs were characterized by SEM, F

184 Much interest is directed at the chemical structure of hydraulic fracturing (HF) additive

185 The chemical structure of imazalil shows an asymmetric carbo

186 d on the secondary structure of OprH and the chemical structure of LPS, resulting in distinctive patt

187 The chemical structure of new compounds were identified as (

188 thod provides a means to evaluate changes in chemical structure of PFSA ionomers with a much higher d

189 The device emission spectrum and the chemical structure of Pt-16 are shown in the inset of th

190 zolin-4(1H)-one [(+/-)-Retro-2(cycl)] as the chemical structure of Retro-2 that showed mouse protecti

191 imensional space is achieved by altering the chemical structure of selected analytes between the two

192 The role of the specific chemical structure of siRNA is considered and an overvie

193 w strategy has been applied to determine the chemical structure of the characteristic b2 fragment ion

194 synthesis and that effect is dependent on a chemical structure of the compounds.

195 These findings establish the chemical structure of the dA-Ap cross-link released from

196 P NPs) is presented, via modification of the chemical structure of the DNA.

197 By designing the chemical structure of the dopant precursor to vary the r

198 n of the above mentioned parameters with the chemical structure of the dyes and temperature was evalu

199 ificity and this property is inherent to the chemical structure of the fluorophore.

200 alizes the effects of methylphenidate on the chemical structure of the fly brain.

201 epwise synthetic routes, and the complicated chemical structure of the hetero[4]rotaxane was well-cha

202 ion constants can be tuned by perturbing the chemical structure of the heteropolymer.

203 Interestingly, we found that the chemical structure of the identified mouse alarm pheromo

204 cochemical properties of the particle to the chemical structure of the intrinsic polymers is still ch

205 hesize that this is due to the similarity of chemical structure of the monomers (both monomers have l

206 Manipulation of the chemical structure of the NHO organocatalyst allows for

207 The imine-linked chemical structure of the obtained monolayer was charact

208 y and potency are derived primarily from the chemical structure of the oligonucleotide whereas their

209 The effects of modifications of the chemical structure of the oligonucleotides on properties

210 rophobicity, surface pKa of the sorbent, and chemical structure of the parent amine and nitrosamine.

211 We find that the subtle differences in the chemical structure of the two monomers impact their homo

212 croscopy, we imaged the single-bond-resolved chemical structure of transient metastable intermediates

213 t the microwave treatment does not alter the chemical structure of WSP, in which Galacturonic acid co

214 The chemical structures of 1-4 were determined following ana

215 ransformation were systematically applied to chemical structures of 75 green tea components, resultin

216 The examination of chemical structures of active molecules in the screen gr

217 able of relating relative intensities to the chemical structures of analytes via Delta(f)H of ions wh

218 The chemical structures of biomolecules, whether naturally o

219 Despite similar chemical structures of both complexes, only compound 1 e

220 tive kinetic and mechanistic information and chemical structures of compounds will serve as a valuabl

221 s traditionally been reached by altering the chemical structures of donors and acceptors, the theory

222 Our work establishes a link between the chemical structures of DTPs and their antimicrobial acti

223 rized by spectroscopic techniques, while the chemical structures of fluorophenanthro- and methoxytetr

224 Here, we demonstrate that the chemical structures of high-MW DON may be much more dive

225 have therefore been developed to predict the chemical structures of natural products, particularly no

226 Tentative chemical structures of non-polar, mid-polar and polar di

227 Identification of temporal changes in chemical structures of process uranium materials as a fu

228 d to the different composition, granular and chemical structures of starch, and the presence of granu

229 We investigated the mass loss and chemical structures of straw decomposition in response t

230 The elucidation of the chemical structures of such DNA-protein crosslinks is ne

231 Additionally, the chemical structures of tetrameric (cinnamtannin A2) and

232 The results were correlated with the chemical structures of the (glyco)protein molecules.

233 redicted boiling points, calculated from the chemical structures of the candidates.

234 As most of the chemical structures of the degradation products were unk

235 ise-dependent due to the complexities of the chemical structures of the flavonoids and the food matri

236 djustable release rates without altering the chemical structures of the polymer or active pharmaceuti

237 rsors provide unprecedented evidence for the chemical structures of the resulting GNRs, especially th

238 ituent subunits; and rational changes to the chemical structures of the subunits must result in predi

239 The final confirmation of the proposed chemical structures of the TPs was achieved by a compari

240 We isolated and characterized the chemical structures of the two most abundant anthocyanin

241 The chemical structures of the unusual hopanoid-containing l

242 and lacks a method for linking drugs to the chemical structures of their active ingredients, increas

243 The chemical structures of these DBPs were elucidated via MS

244 The chemical structures of three byproducts were confirmed.

245 crete structure" that is defined as a unique chemical structure, often within a fiber molecule, which

246 plication and the potential influence of the chemical structure on the sensory properties of wine are

247 a fundamental understanding of the impact of chemical structures on photovoltaic properties.

248 igands is annotated with manually curated 2D chemical structures or amino acid sequences, nomenclatur

249 o those of known drugs but through different chemical structures or targets.

250 se either only drug-related properties (e.g. chemical structures) or only disease-related properties

251 Chemical structure overlap between DrugCentral and five

252 are formed such that triggerable, reversible chemical structures persist throughout the network.

253 Additionally, chemical structure prediction has been improved by incor

254 l aspects of biochemistry, but their complex chemical structures present long-standing practical chal

255 y of carotenoids from foods depends on their chemical structure, processing and the food matrix.

256 omatic amine or amide functionalities in the chemical structures proposed for the degradation product

257 hes of multiple query types, including text, chemical structure, protein sequence and numerical affin

258 ng databases containing drugs, drug targets, chemical structures, protein-ligand structure complexes,

259 mostly using a common training set of 1,677 chemical structures provided by the U.S. EPA, to build a

260 compounds are classified according to their chemical structures, providing correlative insights into

261 gated polymers, and find that many different chemical structures share an apparent maximum in their e

262 CoQ10 is a highly lipophilic molecule with a chemical structure similar to vitamin K.

263 Analysis of the chemical structure similarities revealed a potential pha

264 We explore here the chemical structure "space," e.g. the set of organic comp

265 ation, data submission using PubChem Upload, chemical structure standardization, web-based interfaces

266 dvanced cheminformatics capabilities such as chemical structure storage and visualization, fast simil

267 to gene clusters that encode closely related chemical structures, suggesting that only a fraction of

268 stics and operative treatment exploit unique chemical structures suited for illuminating target tissu

269 such, several small molecules with different chemical structures targeting CXCR3 have been discovered

270 have been discovered to span a wide range of chemical structures that possess a number of interesting

271 According to their chemical structure, the compounds were organised in diff

272 ptimization assumes that upon elaboration of chemical structure, the ligand retains its binding mode

273 s were characterised in terms of morphology, chemical structure, thermal properties, and distribution

274 On the basis of their chemical structures these antagonists can roughly be div

275 ut biomolecule needs to have the appropriate chemical structure to bind tightly into the CB7 cavity.

276 Despite FDO11DFCB3 being similar in chemical structure to the novel materials presented here

277 his glycosphingolipid, DB06-1, is similar in chemical structure to the well-studied alpha-galactosylc

278 ection have similar mechanisms of action and chemical structures to antiretrovirals for human immunod

279 cess of adding database cross references and chemical structures to genome-scale metabolic models.

280 cts, through its expansion with over 700 000 chemical structures to now include more than 950 000 uni

281 direction by systematically modifying their chemical structures using electron-withdrawing functiona

282 ounds for studying the effects of systematic chemical structure variations on thin-film structure and

283 re required to refine conclusions, the OMP's chemical structure was a determinant for AK action becau

284 a chemical library containing highly diverse chemical structures was screened using a cell-based assa

285 y that would be difficult to predict if only chemical structure were considered.

286 The suggested chemical structures were elucidated by MS fragmentation

287 Their chemical structures were performed by sugar composition,

288 Sesquiterpenoids with different chemical structures were tested: trans,trans-farnesol, c

289 In order to establish the chemical structures which can be responsible for the dif

290 simply by accession number, as opposed to by chemical structure, which has been a burden to integrate

291 (1)H NMR and LCMS were used to confirm their chemical structure while tandem MS was used to confirm s

292 TAS2R must accommodate a broad diversity of chemical structures while simultaneously achieving high

293 lic acid has been recognized as an important chemical structure with a wide range of health benefits

294 ofloxacin (ENF), with a similar physical and chemical structure with CPX, was used, which showed 7 fo

295 Associating an odorant's chemical structure with its percept is a long-standing c

296 Their similarities in chemical structure with legacy pollutants and their pote

297 demonstrates how to integrate information on chemical structure with mechanistic insight from genomic

298 gory of lipids includes a broad diversity of chemical structures with a wide range of physicochemical

299 eneration taxoids irrespective of the drug's chemical structures with essentially quantitative drug l

300 times for new analytes, based only on their chemical structures, with a root-mean-square error of pr