上海贵族宝贝

Lecture topic:When molecular design and experimental design have AI blessing, the new version of MaXFlow3.6.1 material will be released.

Lecture time:Thursday, March 16th, 2023, 15:00.

Speaker:Chuangteng Technology Lecturer

It takes only 2 seconds to obtain a stable 3D molecular structure?

The generation of three-dimensional conformation of molecules plays a key role in the design of small molecules in materials science, life science and other fields. Traditional methods usually need to predict the distance between atoms, the gradient of distance or the local structure such as twist angle, and then reconstruct its 3D conformation.

In MaXFlow3.6.1, the DMCG component will be launched soon. DMCG is a method to directly predict the atomic scale, that is, to directly generate the three-dimensional coordinates of molecules without considering the intermediate value. This method can adaptively combine bond and atomic information, and refine the generated conformational coordinates through continuous iteration. This method has achieved good performance on both GEOM-QM9 and GEOM-Drugs data sets.

MaXFlow3.6.1 is about to launch the online molecular 3D coordinate generation module DMCG. DMCG can directly predict the three-dimensional coordinates of each atom without providing intermediate values such as bond length and bond angle, and visualize the optimized three-dimensional structure. This method automatically extracts bond and atom information from molecular SMILES, and obtains the lowest energy conformation through iterative optimization. DMCG has achieved excellent performance on both GEOM-QM9 and GEOM-Drugs data sets, and its intrinsic properties such as band gap of the generated conformation are consistent with the real values. This method will provide an effective basis for subsequent property calculation and molecular simulation.

With it, the optimization of reaction conditions will no longer make you "bald"

In the process of preparing new materials, many reaction parameters are usually involved. In order to find the best preparation scheme and obtain the best yield, a lot of experimental verification is often needed, which brings a lot of workload to researchers and is very time-consuming and labor-intensive. How to optimize the experimental design scheme by means of AI, so that researchers can find the best scheme only through a limited number of experiments?

MaXFlow, a molecular simulation and artificial intelligence platform, integrates machine learning algorithm with experimental design (DOE), which helps researchers quickly lock the optimal interval and greatly reduces the number of verification experiments.

In MaXFlow3.6.1, EDBO component will be launched soon, which integrates Bayesian optimization algorithm. Bayesian optimization is a global optimization algorithm based on iterative response surface, which shows excellent performance in the tuning of machine learning model. In recent years, Bayesian optimization has also been applied to the chemical field. Using Bayesian optimization method in experimental design can effectively help optimize process parameters, thus realizing data-driven decision-making.

At this conference, you will also learn about MaXFlow’s rich model building functions.

With the development and application of technology, artificial intelligence has gradually entered people’s lives, and more and more enterprises and organizations have begun to use AI technology in their business. In the future, with the further development of technology, the application prospect of artificial intelligence will be broader and will become an important driving force in the digital age.

At present, artificial intelligence has been widely used in many fields, such as medical care, financial services, transportation, education, entertainment and other fields. For example, in the field of medical care, artificial intelligence can help doctors diagnose and treat diseases quickly and accurately by analyzing and processing a large number of medical data; In the field of financial services, artificial intelligence can provide customers with more personalized financial services by analyzing and processing a large number of financial data; In the field of transportation, artificial intelligence can improve the efficiency and safety of traffic management and reduce the incidence of traffic congestion through vehicle networking technology; In the field of education, artificial intelligence can provide students with more personalized learning services through intelligent teaching systems; In the field of entertainment, artificial intelligence can provide users with entertainment services that are more in line with their needs through the analysis of users’ interests and preferences.

With the continuous development and innovation of artificial intelligence technology, its application prospect will be broader. For example, artificial intelligence will be more and more widely used in smart homes, smart cities, driverless and other fields. Smart home will provide people with a more intelligent, comfortable and safe living environment through the connection and cooperation of intelligent devices; Smart cities will improve the level and efficiency of urban management and services through big data analysis and intelligent management; Unmanned driving will improve traffic safety and reduce traffic congestion through technologies such as automatic driving and intelligent navigation.

Although the application prospect of artificial intelligence is very broad, it also faces some challenges and problems in the application process. For example, issues such as data security, privacy protection, interpretability of algorithms, and the impact of artificial intelligence on the job market require the joint efforts of all parties to promote the further development of technology and applications.

The application prospect of artificial intelligence is very broad and it will play an important role in the future economic and social development. At the same time, we should also note that the application of artificial intelligence technology needs to balance the development of technology and society, taking into account issues such as data security and privacy protection, so that it can be truly used by human beings and promote human development and progress.

On December 1, OPPO announced at the 2021 Qualcomm Snapdragon Technology Summit that OPPO’s new flagship machine will be equipped with a new generation of Snapdragon 8 5G mobile platform and will be available in the first quarter of 2022. At the same time, including onePlus, which has previously become an OPPO sub-brand, the cooperation between OPPO big family and high-tech will enter a new stage, continue to promote 5G in the global Pu Wei development, explore and build intelligence.cell phoneThe next stage.

Zhang Xiao, vice president of OPPO Overseas Sales, said: "OPPO has been close to Qualcomm to maintain closeness, mutual trust, continues to achieve new results in the process of promoting 5G global development. OPPO flagship products have taken the lead in using flagship Snapdragon Motion Platform, in order for global users to bring excellent innovation mobile experience. OPPO flagship new products with new generation of Snapdragon 8 5G mobile platform will continue to provide users with strong power and diverse extra experience. We believe, OPPO flagship new products The annual flagship product will be again defined. "

Since the open business, the popularity and development of 5G in the world have always maintained rapidly. The latest data shows that as of the end of May, 2021, 169 operators in 70 countries and regions around the world have launched 5G commercial services [data from the Global Mobile Suppliers Association Global Mobile Supplier Association "global 5G Terminal Development Status Report "]. As the fourth largest smartphone brand in the world, OPPO continues to work with Industrial partners in Qualcomm, and work together to promote 5G from the products and applications.

In 2021, OPPO has launched a variety of mobile phones with Snapdragon 5G mobile platform, including the Find X3 series, RENO6 series, not only bringing more global users.5G mobile phoneChoose, also bringing more kinds of technological innovations for them. After the brand mission of "Technology is a good world", OPPO is more focused on scientific innovation from the perspective of 5G mobile phone products. For example, the OPPO Find X3 series is equipped with a full-link color management system that provides color visual enhancements for users with weak color identification capabilities, bringing superior and user-friendly. Screen experience.

In addition, in April 2021, OPPO was used to complete Europe’s first SA commercial manufacturer using the Snapdragon Mobile platform, and Higtong worked hands with Qualcomm to promote 5G SA network construction, and accelerated 5G commercial landing in the global market. Up to now, OPPO has become a partner with more than 80 operators around the world, and has achieved further business progress in Europe and emerging markets, including Latin America, South Africa, and in Europe, including Latin America. These achievements are inseparable from the leading technical partners represented by Qualcomm.

OPPO has always adhered to the idea of ??opening, mutual benefit, win – win, working with more industry-leading partners including Qualcomm, actively exploring more valuable cutting-edge technology and applications. OPPO and brand OnePlus faces the future, insist on the implementation of technological innovation to promote 5G evolution, ecological cooperation is the key force to play 5G scale effects, through all-round innovation and cooperation, constantly bringing quality experience and excellence product.