As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situ...As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situation of the project from the following aspects,namely,the characteristics,objectives and contents.It also expounds on the basic ideas and the overall structure of the project and gives an introduction to the design of its basic platform,its application platform,its business management system and its standardization control system.In this paper,the digital resources construction and service delivery of the National Library of China(NLC)are introduced to cover both its present operation as well as those in conjunction with the opening of its new library building during its second-phase of library development.Finally,the most important and difficult point in the construction of the National Digital Library Project is analyzed from the following four perspectives:1)The long-term preservation of digital resources;2)the construction of knowledge organization system;3)the organic integration of the digital library and the traditional library;and 4)the risk of project management and system integration.展开更多
Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggab...Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggable chemical space. Here, deep learning-based molecule generative model, which is a recent technique in de novo molecule design, was applied to generate virtual libraries with NP-like properties. Results demonstrated that the model was effective in generating molecules that highly resemble NPs. Moreover, the model was also found to be capable of generating NP-like molecules that were also easy to synthesize, significantly increasing the practical value of the compound library.展开更多
基金supported by the Ministry of Education of P.R.China(Grant No.07JJD870221)
文摘As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situation of the project from the following aspects,namely,the characteristics,objectives and contents.It also expounds on the basic ideas and the overall structure of the project and gives an introduction to the design of its basic platform,its application platform,its business management system and its standardization control system.In this paper,the digital resources construction and service delivery of the National Library of China(NLC)are introduced to cover both its present operation as well as those in conjunction with the opening of its new library building during its second-phase of library development.Finally,the most important and difficult point in the construction of the National Digital Library Project is analyzed from the following four perspectives:1)The long-term preservation of digital resources;2)the construction of knowledge organization system;3)the organic integration of the digital library and the traditional library;and 4)the risk of project management and system integration.
基金The National Natural Science Foundation of China(Grant No.81573273,81673279,21572010 and 21772005)National Major Scientific and Technological Special Project for"Significant New Drugs Development"(Grant No.2018ZX09735001-003)
文摘Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggable chemical space. Here, deep learning-based molecule generative model, which is a recent technique in de novo molecule design, was applied to generate virtual libraries with NP-like properties. Results demonstrated that the model was effective in generating molecules that highly resemble NPs. Moreover, the model was also found to be capable of generating NP-like molecules that were also easy to synthesize, significantly increasing the practical value of the compound library.
