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 of future inhibitor molecules based on this chemical structure.

4 or differential transport, likely related to chemical structure.

5 This effect was dependent on their chemical structure.

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

7 ion polyhedron is essential to understanding chemical structure.

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

9 determination because of their similarity in chemical structure.

10 n compared to other molecules with different chemical structure.

11 y coarse-grained simulations of the system's chemical structure.

12 ors, their reactivity is determined by their chemical structure.

13 compounds and oral mucosa depending on aroma chemical structure.

14 in derivatives in CSF also depended on their chemical structure.

15 ith in vitro and in vivo activities than the chemical structure.

16 res that cannot be confidently assigned to a chemical structure.

17 ired property and optimizing a corresponding chemical structure.

18 covalent frameworks composed of hierachical chemical structures.

19 NCI drug libraries representing a variety of chemical structures.

20 ted ToxCast(TM) metabolites, totaling 55,450 chemical structures.

21 ediction model with high accuracy on diverse chemical structures.

22 scaffold queries increasingly abstract from chemical structures.

23 d varied physiological functions and similar chemical structures.

24 iological functions and adopt a diversity of chemical structures.

25 profiles of SCFAs from fibers with different chemical structures.

26 different components are controlled by their chemical structures.

27 ormatics to visualize complex biological and chemical structures.

28 limited bioavailability and extremely varied chemical structures.

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

30 nize a spectrum of substrates with different chemical structures.

31 echniques to capture a broad distribution of chemical structures.

32 e range of biological activities and complex chemical structures.

33 of donor and acceptor molecules of different chemical structures.

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

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

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

37 ands in similar positions despite dissimilar chemical structures.

38 which involve significant changes in ligand chemical structures.

39 mportant and should be considered privileged chemical structures.

40 same class of antibiotics that share similar chemical structures.

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

42 e developed a computer algorithm to classify chemical structures according to their functional groups

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

44 ation tool can be successfully used to guide chemical structure activity relationship optimization, e

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

46 Little is known how the chemical structure affects the toxicokinetics (TK) in di

47 Their chemical structure allows the insertion of reporter mole

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

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

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

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

52 y and paves the way for further study of its chemical structure and biological roles.

53 ms, is of fundamental scientific interest in chemical structure and bonding, as nitrogen is uniquely

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

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

56 trometry (GC/MS) were performed to study the chemical structure and chemical formula.

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

58 n droplets by varying the oil and surfactant chemical structure and concentration.

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

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

61 lecular orbitals are useful for interpreting chemical structure and dynamics.

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

63 The chemical structure and function of biomacromolecules has

64 e efficacy of gallic acid (GA) to modify the chemical structure and gelling behavior of myofibrillar

65 tionalized eburnane alkaloids display unique chemical structure and interesting biological activity.

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

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

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

69 tical conditions - complexity of matrix, and chemical structure and number of analytes.

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

71 In this study, chemical structure and physicochemical properties were u

72 The correlation between chemical structure and predissociation dynamics has been

73 ty probes to generate a relationship between chemical structure and probe competition, we identified

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

75 Dyes are small molecules that vary widely in chemical structure and properties, which renders their c

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

77 The relation between the chemical structure and the mechanical behavior of molecu

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

79 However, colibactin's chemical structure and the molecular mechanism underlyin

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

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

82 likelihood of assay interference for any new chemical structure and thus increase confidence in HTS d

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

84 ic chemistry and in the development of novel chemical structures and architectures.

85 t are the least understood in terms of their chemical structures and biological functions.

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

87 ral role in metazoan biology, and both their chemical structures and cognate receptors are evolutiona

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

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

90 This study identified relationships between chemical structures and in vivo phenotypes that may aris

91 ology and high-performance with a variety of chemical structures and molecular weights.

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

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

94 Although the chemical structures and systems designed and studied tod

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

96 rstanding of relationships between polyimide chemical structures and their gas transport properties i

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

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

99 utions opens opportunities for understanding chemical structures and thus providing a basis for tunin

100 1d have been shown to cover a broad range of chemical structures and to follow precise rules determin

101 The chemical structures and topologies of the crosslinks in

102 Butlerov's version of the theory of chemical structure, and its extension from molecular str

103 widespread attention owing to their diverse chemical structures, and tunable properties.

104 ng pocket that accommodates drugs of diverse chemical structures, and we delineate the ion permeation

105 New drugs with novel chemical structures are needed to overcome a myriad of r

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

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

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

109 a hypothesized model where the similarity in chemical structure between PE and its natural honeycomb

110 arch was to determine the relationship among chemical structure, bioactivity and temperature of chamo

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

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

113 While novel chemical structures can thus be found, selectivity is a

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

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

116 Their chemical structure combines an intercalating anchor with

117 th thiols of larger size and more "branched" chemical structure compared to complexes with simpler st

118 tions, which are atom-bond specifications of chemical structures composing the molecules.

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

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

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

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

123 istics page, and enabled direct link-outs to chemical structure databases.

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

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

126 Concurrently, methods for verifying chemical structure during or following an LCTEM experime

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

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

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

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

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

132 Fine-tuning siRNA chemical structure for optimal extrahepatic efficacy is

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

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

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

136 However, each LCS's unique chemical structure has potential to elicit different sen

137 Their unconventional compositions and chemical structures hold promise for achieving unprecede

138 ever, the fingerprints that are derived from chemical structures ignore the biological context, thus,

139 ce area, and tunable physical properties and chemical structures-important features in heterogeneous

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

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

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

143 t to train our models combined with compound chemical structure information.

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

145 Without defined chemical structure, interpretation of the biochemical re

146 class of natural products with unprecedented chemical structures, intriguing biological activities, a

147 Its chemical structure is diverse and depends on maturity, s

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

149 Its chemical structure is the basis of all flavonoids presen

150 s the drug, without changing or altering its chemical structure; it makes it pass through the epiderm

151 The chemical structure mainly differs in two ways: the lengt

152 However, their chemical structure makes them possible greenhouse gases

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

154 The chemical structure measurements using a pulsed 60 keV Bi

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

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

157 cuses on the relationship between GMS and SA chemical structure, nano and mesoscale crystal structure

158 These compounds are derived from chemical structures not previously associated with anest

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

160 Molecular modeling involves the study of the chemical structure of a drug and how it interacts with a

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

162 The coordinative bonding and chemical structure of a MIL-53 crystalline phase are pre

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

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

165 99cm(-1), which may be attributed to complex chemical structure of AFM1.

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

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

168 The chemical structure of conjugated siRNA may significantly

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

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

171 The chemical structure of dopamine (DA), one of the most use

172 a series of model compounds inspired by the chemical structure of fenfuram, a fungicide used in the

173 objective of this study was to elucidate the chemical structure of fucoidan from Cladosiphon okamuran

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

175 The chemical structure of imazalil shows an asymmetric carbo

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

177 While the chemical structure of many compounds in the dissolved or

178 strated that the thermodynamic stability and chemical structure of MeHg complexes in the medium is an

179 The chemical structure of mono-MAs is verified by proton and

180 es prove the capability of TOF-SIMS to image chemical structure of nanohybrids which is expected to h

181 approved GABAergic anesthetic etomidate, the chemical structure of our N-arylpyrrole derivative is de

182 ificant changes in the morphology, size, and chemical structure of PNA microcapsules in cell culture

183 Modifying the chemical structure of polymers that are already produced

184 id-state NMR spectroscopy to investigate the chemical structure of polyphosphates in whole cells as w

185 t link between multienzyme structure and the chemical structure of the biosynthetic end-product, has

186 M-RS)(2) compounds is also influenced by the chemical structure of the complexes.

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

188 ncy of HF formation by DBD regardless of the chemical structure of the compounds.

189 The chemical structure of the conjugate, rather than overall

190 In summary, the chemical structure of the counterion on the catanionic s

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

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

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

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

195 occurred without affecting the integrity of chemical structure of the imidazole-based pharmaceutical

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

197 We describe in this report the chemical structure of the K15 polysaccharide, based on c

198 Finally, alteration of the chemical structure of the ligand causes changes in the m

199 feature selection algorithm and assigned the chemical structure of the metabolites by high-resolution

200 ) -> SO(4)(2-) is valid independently of the chemical structure of the model compound and might repre

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

202 ein glycosylation has been reported, but the chemical structure of the O-glycan and the machinery req

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

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

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

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

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

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

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

210 rm was developed for the first time to study chemical structures of closely related functional groups

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

212 files of cancer cells and explores intrinsic chemical structures of drugs for predicting CDR.

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

214 comprehensive platform for prediction of the chemical structures of genomically encoded antibiotics,

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

216 limited by the impossibility of identifying chemical structures of hundreds to thousands of compound

217 e quantified and, considering subclasses and chemical structures of individual species, 6 sphingolipi

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

219 ng NAI susceptibility of AIVs.IMPORTANCE The chemical structures of neuraminidase inhibitors (NAIs) p

220 are discussed, summarizing the synthesis and chemical structures of NIR-II dyes, chemical and optical

221 The chemical structures of SPD and NSPD are different only w

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

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

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

225 Results reflect a change in the chemical structures of the chia oil.

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

227 lenge of linking sequence information to the chemical structures of the encoded molecules.

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

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

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

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

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

233 Using HRMS, the molecular formula and chemical structures of these unexpected crosslinks were

234 The chemical structures of three byproducts were confirmed.

235 efine efficacy, and that the impact of siRNA chemical structure on activity is driven by intracellula

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

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

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

239 Chemical structure overlap between DrugCentral and five

240 However, the vast diversity in chemical structure, physical properties and molecular si

241 structures that are obtained differ in their chemical structure, physical properties, colloidal stabi

242 The accuracy of chemical structure prediction enables the development of

243 l for energy conversion and storage, but the chemical structures present in this heterogeneous pigmen

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

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

246 Using in vitro and in vivo RNA chemical structure profiling, we determine that hundreds

247 Despite differences in chemical structure, protein and RNA enzymes appear to sh

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

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

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

251 Their chemical structure, reactivity, and properties vary wide

252 usceptible to signal interference by certain chemical structures resulting in false positive outcomes

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

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

255 Analysis of the chemical structure similarities revealed a potential pha

256 ts to identify trends in reactivity based on chemical structure, solvent, temperature, and stoichiome

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

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

259 r over a half a million reference compounds, chemical structures still cannot be confidently assigned

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

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

262 n science and technology due to their unique chemical structure that offers a myriad of opportunities

263 dies are hampered by the lack of fluorescent chemical structures that allow direct monitoring of smal

264 melanin-like materials with morphologies and chemical structures that are specifically optimized for

265 upling can fundamentally change the types of chemical structures that can be mined for molecular func

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

267 l assays of those compounds identified three chemical structures that were antiviral against IAV and

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

269 ecular entry, it provides information on the chemical structure, the ligand-binding site, the directi

270 selective COX inhibitors regardless of their chemical structure, the mechanism of MC activation is no

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

272 ented therapeutic properties and fascinating chemical structures, these metabolites have captivated t

273 Moreover, despite very similar chemical structures, they provide a very distinct spatia

274 o monomer repeat units have almost identical chemical structures, this system is particularly well-su

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

276 A. mearnsii gum showed a similar chemical structure to commercial gum Arabic and did not

277 anol as well as 8 other oligomers similar in chemical structure to common components of household dus

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

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

280 In this work, we aim to link ligand chemical structures to MIEs for androgen receptor (AR) a

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

282 es of bacterial metabolomes typically assign chemical structures to only a minority of detected metab

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

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

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

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

287 e monomer composition, molecular weight, and chemical structure were determined using chromatographic

288 infrequently reported PFAS species for which chemical structures were determined using high-resolutio

289 The suggested chemical structures were elucidated by MS fragmentation

290 y of such polyimide membranes via tuning the chemical structures were found to offer better combined

291 Their chemical structures were performed by sugar composition,

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

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

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

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

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

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

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

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

300 h, linking the power of genetics directly to chemical structures would offer even greater diversity i