In sci-fi movies and comics about the future, there will always be such a plot: the villain is full of malice and intends to control the world. The new virus is raging, spreading widely, and spreading rapidly, and there is no cure. The superhero with his own protagonist's halo is ordered to fight to the death; in the end, he can turn the tide and save the world by himself. .
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From April 9th to May 21st, this time it's your turn to be a superhero
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The setting of the story is this
This article is technically supported by "One Partner Editor"
The setting of the story is as follows: In a certain year in the future, an unknown disease ravages the world, leaving human beings helpless. The original happy atmosphere was quickly replaced by panic and death, with serial explosions, panicked crowds, disorderly car accidents, and the bustling metropolis fell into a dead silence. In order to prevent the destruction of the world, talented people from all over the world are heading to the source of the virus one after another to find a way to relieve the crisis...
Smart China Cup and Jingtai Technology launched an artificial intelligence-based drug molecular screening pharmaceutical algorithm competition.
As we all know, protein is responsible for various physiological functions of life and is the direct expresser of biological traits.
The interaction of proteins and small molecule compounds is the basis for drug design. In-depth study of the binding mechanism of proteins and drug molecules at the molecular level will help to provide a rich computational basis for the screening and development of new drugs with high efficacy, wide application and less toxic and side effects, greatly shortening the existing experimental discovery process and reducing clinical failures risk.
The use of artificial intelligence to build affinity prediction models for proteins and small molecules for screening effective drug candidate molecules will greatly speed up the drug development process and allow patients to receive the most timely treatment.
There are many pathogenic proteins, and their structural sequences are hidden in the df_protein.csv dataset (Sequence feature). Small molecules capable of binding to these pathogenic proteins (the Fingerprint features in df_molecule.csv representing their structures) were also found, along with their physicochemical properties. In addition, in the df_affinity.csv dataset, the affinity values (Ki features) between proteins and small molecules are included.
Time is running out! ! !
As an algorithm scientist, can you predict the affinity values of disease-causing proteins and small molecules from a test set in just six weeks (April 9 to May 21) to find the most effective drug molecules?
About bonus prizes!
In addition to cash rewards, this competition also includes rewards for technical internship positions provided by the organizer, Jingtai Technology. Winning the grand prize also earned himself an offer to enter an advanced pharmaceutical research company. The competition awards are set as follows:
First prize: 1 team, cash reward of 22,000 yuan + machine learning algorithm internship position;
Second prize: 1 team, cash reward of 10,000 yuan + machine learning algorithm internship position face-to-face qualification;
Third prize: 6 teams, cash reward of 3,000 yuan per team + machine learning algorithm internship position face-to-face qualification;
In addition to the above 8 teams that have won cash prizes, there are 20 winners in this competition, and the winning teams will receive an electronic certificate officially certified by the 2nd Smart China Cup National Big Data Innovation Application Competition.
Competition Organization
Organizer: Jingtai Technology
Guiding unit: Sichuan Provincial Economic and Information Commission
Sichuan Provincial Department of Education
Sichuan Daily
Chengdu Municipal People's Government
Chengdu Economic and Information Commission
Chengdu Big Data Industry Research Institute
Organizer: DataCastle
About the organizer!
XtalPi is a world-leading drug R&D technology company driven by computation-driven innovation. It has received Series A investment from Tencent, ZhenFund, and Fengrui, as well as tens of millions of dollars in Series B financing from Sequoia and Google. , has become one of the highest-financed startups in the global AI+pharmaceutical field, and you are welcome to join.
At present, it has established in-depth cooperation with many of the world's top pharmaceutical companies and scientific research institutions. Jingtai Technology has also successfully introduced AI algorithms to the process of drug discovery. The deep learning models developed by it have excellent performance in drug discovery and structure optimization. performance, and its drug solid-phase screening and design platform is the most advanced solution in the industry.
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