摘要：In view of huge search space in drug design, machine learning has become a powerful method to predict the affinity between small molecular drug and targeting protein with the development of artificial intelligence technology. However, various machine learning algorithms including massive different parameters make the prediction framework choice to be quite difficult. In this work, we took a recent drug design competition(from XtalPi company on the DataCastle platform) as the typical case to find the optimized parameters for different machines learning algorithms and the most effective algorithm. After the parameter optimizations, we compared the typical machine learning methods as decision tree(XGBoost, LightGBM) and artificial neural network(MLP, CNN) with root-mean-square error(RMSE) and coefficient of determination(R^2) evaluation. As a result, decision tree is more effective than the neural network as LightGBM>XGBoost>CNN>MLP in the affinity prediction of the specific drug design problem with ～160000 samples. For a much larger screening task in a more complicated drug design study, the sophisticated neural network model may go beyond the decision tree algorithm after generalization enhancing and overfitting reducing. The advanced machine learning methods could extract more information of protein-ligand bindings than traditional ones and improve the screen efficiency of drug design up to 200–1000 times.

摘要：Transdermal drug delivery systems have overcome many limitations of other drug administration routes,such as injection pain and first-pass metabolism following oral route,although transdermal drug delivery systems are limited to drugs with low molecular ***,new emerging technology allowing high molecular weight drug delivery across the skin—known as‘microneedles’—has been developed,which creates microchannels that facilitate drug *** this report,drug-loaded degradable conic microneedles are modeled to characterize the degradation rate and drug release *** a lot of data are available for polylactic acid-co-glycolic acid(PLGA)degradation in the literature,PLGA of various molecular weights-as a biodegradable polymer in the polyester family-is used for modeling and verification of the drug delivery in *** main reaction occurring during polyester degradation is hydrolysis of steric bonds,leading to molecular weight *** acid produced in the degradation has a catalytic effect on the *** in water,acid and steric bond concentrations over time and for different radii of microneedles are *** solve the partial and ordinary differential equations simultaneously,finite difference and Runge–Kutta methods are employed,respectively,with the aid of *** of the polymer degradation rate with its molecular weight and molecular weight changes versus time are ***,drug diffusivity is related to matrix molecular *** molecular weight reduction and accumulative drug release within the system are *** order to validate and assess the proposed model,data series of the hydrolytic degradation of aspirin(180.16 Da)-and albumin(66,000 Da)-loaded PLGA(1:1 molar ratio)are used for *** proposed model is in good agreement with experimental data from the *** diffusion as themain phenomena and autocatalytic effects in the reaction,the drug release profile i

摘要：Herein,we report a geometrically well-defined prism assembled by two floxuridine(F)integrated RNA strands as a precise nanomedicine for chemodrug *** to the similarity between chemotherapeutic F and uridine(U),all uridines in the component RNA strands are replaced by F during their in vitro transcription *** specifically designing their sequences,F-containing S-shape tiles with the single-stranded loops are constructed and then further assemble into the RNA prism through T-junction interactions and sticky-end *** present study demonstrates that the F-integrated RNA prism can serve as an efficient platform for chemodrug delivery and anticancer *** believe that the study would help the future development of RNA-based nanomedicine in various applications.

摘要：As an important figure of the Beat Generation,the literature works of Allen Ginsberg have a huge influence on contemporary *** since the sensational publishing of Howl in the mid-1950s,the poetry of Ginsberg has been recognized for the language use which expresses violence,lusts,taboos;as well as the combination of large numbers of imaginaries that seem *** Ginsberg’s works,the components of religions and drugs are considered as large and important parts and help to express the theme or emotions of the *** interpretation of those elements is related to Ginsberg’s personal memory and emotions,hence,in many of his works,Ginsberg had different attitudes towards them,and used them as different methods of expression.

摘要：Opioid crisis continues to gain ground in the United States with little regards to color or economic *** than 800 people die weekly from opioid-related overdosestotally well over 42,000 deaths in 2016,and the number is ***,the opioid overdose deaths involved an estimated 40%prescription opioid *** reported by the National drug Institute(2017),opioid addiction is often described as an“equal opportunity”problem that can afflict people from all races and walks of *** the crack crises of the past,the present opioid epidemic has extremely impacted White Americans not only the rural and poor,but also suburban and middle class or ***,current opioid overdoses deaths have increased for Whites,Blacks,and Hispanics,they have increased to a far greater degree for White *** to battle the increasing opioid epidemic have moved from incarceration to using legislation to limit the prescriptions being *** and federal laws are being enacted to placing limitations on opioid prescriptions.

摘要：The advancement in the materials manufacturing at micrometer and nanometer scales has already enabled numerous applications in electronics, optics, chemistry, biology and medicine. Biomedical devices carrying micro-/nanostructures are currently being widely used in drug delivery, drug release, biosensing and therapy. New clinical methods for disease diagnosis and treatments are being developed enabled by nanotech no logy. One-dimensional (ID) structures are playi ng an importa nt role in the direct drug delivery both in vivo and ex vivo among various micro-/nanostructures. Here, in this paper, we reviewed recent progresses made on next-generation intradermal and intracellular delivery strategies and applications with focus on ID microstructure-based approaches.

摘要：以Expert Opinion on drug Delivery的文献综述为实例,从摘要格式、文章首页的设计、"文章亮点"预览、专家观点、参考文献的分级标记与注解、作者信息附注等多个方面进行阐述,总结国际高水平科技期刊文献综述的风格特点,以期为我国科技期刊在文献综述的编排、设计方面所借鉴。

摘要：Computer-aided drug design (CADD) is an interdisciplinary subject, playing a pivotal role during new drug research and development, especially the discovery and optimization of lead compounds. Traditional Chinese Medicine (TCM) modernization is the only way of TCM development and also an effective approach to the development of new drugs and the discovery of potential drug targets (PDTs). Discovery and validation of PTDs has become the “bottle-neck” restricted new drug research and development and is urgently solved. Innovative drug research is of great significance and bright prospects. This paper mainly discusses the “druggability” and specificity of PTDs, the “druglikeness” of drug candidates, the methods and technologies of the discovery and validation of PTDs and their application. It is very important to achieve the invention and innovation strategy “from gene to drug”. In virtue of modern high-new technology, especially CADD, combined with TCM theory, research and develop TCM and initiate an innovating way fitting our country progress. This paper mainly discusses CADD and their application to drug research, especially TCM modernization.

摘要：The advancement in the micro-/nanofabrication techniques has greatly facilitated the development of micromotors.A variety of micromotors have been invented with powerful functions,which have attracted a broad range of interests from chemistry, physics,mechanics,biology and *** this paper,we reviewed recent progress in micromotors and highlighted representative *** mechanisms of micromotors by internal and external energy sources were *** described general fabrication strategies of the popular micromotors (wire,tubular,helical and Janus)including bottom-up and top-down *** the application section,we primarily focused on the biological applications,such as biological cargo delivery, biosensing and *** last,we discussed the current challenges and provided future prospects.

摘要：This review is intended to help clinicians design drug regimens for special populations of critically ill patients with extremes of body size, habitus and composition that make drug choice or dosing particularly challenging due to the lack of high-level evidence on which to make wellinformed clinical decisions. The data sources included a literature search of MEDLINE and EMBASE with reviews of reference lists of retrieved articles. Abstracts of original research investigations and review papers were reviewed for their relevance to drug choice or dosing in the following special critically ill populations: patients with more severeforms of bodyweight or height, patients with amputations or missing limbs, pregnant patients, and patients undergoing extracorporeal membrane oxygenation or plasma exchange. Relevant papers were retrieved and evaluated, and their associated reference lists were reviewed for citations that may have been missed through the electronic search strategy. Relevant original research investigations and review papers that could be used to formulate general principles for drug choice or dosing in special populations of critically ill patients were extracted. Randomized studies with clinically relevant endpoints were not available for performing quantitative analyses. Critically ill patients with changes in body size, habitus and composition require special consideration when designing medication regimens, but there is a paucity of literature on which to make drug-specific, high-level evidencebased recommendations. Based on the evidence that is available, general recommendations are provided for drug choice or dosing in special critically ill populations.