Merck-Hosted First Retrosynthesis Reaction Prediction Challenge Concludes with Peking University's MDL Team Crowned Champion

Shanghai, May 7, 2019 /PRNewswire/ -- By the world's leading technology companyMerckThe inaugural Retrosynthesis Prediction Competition, hosted by Merck KGaA, recently concluded successfully. The MDL team from Peking University ultimately won the championship.

Participants in this competition used publicly available organic reaction datasets for modeling to predict reactants based on given target products. The MDL team adopted a hybrid model strategy, extensively incorporating the latest findings from current academic research, flexibly applying various algorithms, and reasonably combining multiple models within a short timeframe to achieve strong predictive accuracy. The competition jury, composed of industry experts including scientists from Merck KGaA, unanimously selected them as the final champions, awarding them a prize of RMB 22,000.

“Merck has consistently maintained its leadership in retrosynthetic analysis and remains committed to advancing technological progress in this field,” said Steve Vermant, Managing Director of Merck Life Science China. “Hosting such a competition not only provides a platform for students, researchers, and practitioners to broaden their horizons and share their ideas and innovations, but also promotes the practical application of new technologies within the industry, while fostering the development of interdisciplinary talent.”

Other winners include:

Retrosynthetic analysis plays a crucial role in the new drug development process, boasting broad application prospects in this field. It offers significant advantages, particularly in accelerating drug R&D, improving efficiency, and reducing costs.

The competition was open to all individuals and teams across China, providing participants with free training camps, online knowledge sessions, and post-competition opportunities to attend Merck Life Science workshops, tour laboratories, and engage in exchanges with relevant experts. Since its launch, the event has attracted a total of 1,150 participants. The majority were students, primarily from engineering/computer science and chemistry/pharmaceutical disciplines at prestigious universities such as Peking University, Tsinghua University, and Fudan University. The remaining participants were experienced practitioners in medicine/life sciences and algorithm engineers from research institutions and enterprises, including the Shanghai Institute of Materia Medica of the Chinese Academy of Sciences, JD.com, and Ping An Technology.

Through teamwork, the contestants designed strategies, learned from one another, and solved problems with the support of Merck scientists. The original intention of Merck in hosting this Retrosynthesis Prediction Competition was to promote industry exploration of the applications of cutting-edge technologies, such as artificial intelligence and machine learning, in drug design methodologies and computer-aided drug design.