Polymers Environmental Chemistry Data Availability Data is provided within the manuscript or supplementary information files. References Kumar PA, Kumar JS (2023) Environmentally benign nanofiller-aided enhancement of the Electrochemical performance of Flexible Lithium Polymer Composite. J Polym Environ. http...
unittest - (Python standard library) Unit testing framework. Test Runners green - A clean, colorful test runner. mamba - The definitive testing tool for Python. Born under the banner of BDD. tox - Auto builds and tests distributions in multiple Python versions GUI / Web Testing locust - ...
如图1b所示,分子集合表示模型MSR2将分子的原子和键编码为两个不同的集合Ai和Bi,并将它们传递给两个独立的RepSet层,其输出的Aout和Bout被连接(Cat),然后是回归或分类MLP。将每个化学键编码为230维的独热编码,包括:(1)键的类型(单键、双键、三键、芳香键、其他键例如配位键),5维独热编码。(2)立体化学类型,...
Natural products (NPs) are a valuable source for anti-inflammatory drug discovery. However, they are limited by the unpredictability of the structures and functions. Therefore, computational and data-driven pre-evaluation could enable more efficient NP-i
Yue Liu2, Feng Zhao3, Paul Owusu Donkor1, Li- qin Ding1, Li-xia Chen2 & Feng Qiu1 Germacrane-type sesquiterpenes, with a flexible 10-membered ring unit as the structural and conformational features, play a central role in the biosynthesis and synthesis of other ...
The structure of schisandrin A1, which contains a spirocyclic epoxy unit, was established by means of spectroscopic methods. The absolute configurations of schisandrin \\{A1\\} (1) and schisantherin A (2) were determined by electronic circular dichroism (CD) and \\{TDDFT\\} calculations, ...
a5N.5um+ EroPups>, receiving 200 ml/kg/24 hr, showed no 0.05). The differences in urinary water such decrease (0.1 excretion between "normal fluid load" and "high fluid load" patients are illustrated in Figure 2. No differences in urinary volume were seen between N S and S groups, ...
aInterestingly, the solid state structure of tBu-4 revealed a very rare structural motif seen in halide-containing silver coordination chemistry (Fig. 1).Four silver atoms form a square planar Ag4-unit bridged by two pairs of iodides. While two of them are bridging each side of the Ag4-...
For all analyzes, the individual mouse was considered the experimental unit within the studies. Survival distributions of the different cohorts were plotted using the Kaplan–Meier estimator and statistical analysis was performed using log-rank (Mantel–Cox) test. For survival analysis, we have complet...
(c) Electronic band structure with the fundamental gap indicated by a gray arrow (left) and projected density of states (right) ocuf rmveo.nTohlaeyFeerrWmSi ie2nNe4rgdyesicsrsiebtetdoizneirtos unit cell, with the total density of states, at the VBM and marked by a horizontal TDOS, ...