Scientist II-Machine learning

About Human Pharmaceutical Business With global presence, Boehringer Ingelheim has industry-leading expertise in medicine research and development. We are constantly developing the next generation of medical breakthroughs and successfully delivering innovations to meet the medical needs of the patients we serve in the following key areas of interest: cardiovascular, respiratory, metabolic diseases, immunology, oncology and central nervous system. In the future, the company will launch new medicines or indications in therapeutic areas including CV & metabolism, respiratory, oncology, immunology, CNS and retinal health to meet the demand of Chinese patients.   Job Responsibilities

• Develop and Implement Machine Learning Models: Design, build, and optimize machine learning models to predict chemical properties, reaction efficacy, and potential side effects. Keep abreast of the latest developments in machine learning, AI, and lab automation for chemcial research and development.
• Data Analysis and Management: Collect, preprocess, and analyze large datasets from various sources, including experimental data and scientific literature.
• Collaborate with Cross-Functional Teams: Work closely with chemists, biologists, analysts, and external partners to integrate machine learning models into the process research (catalyst screening) & development. The role will involve using computational methods including DFT calculations to analyze mechanisms, in silico high throughput screening, integrating computational studies with machine learning models for predicting yield and stereoselectivity for chemical reactions.
• Model Validation and Testing: Validate and test models to ensure accuracy and reliability, and refine models based on feedback and new data.
• Documentation and Reporting: Document methodologies, processes, and results, and prepare reports and presentations for stakeholders.
• Acquire knowledge of and assist in implementing new technologies; Ensure integration of new technologies and department initiatives into daily work to enhance productivity.
• Comply with all regulations and policies; Perform all work in a safe manner; Maintain proper records (notebooks, batch sheets, etc.) per relevant SOPs.

  Qualifications

• Degree: A Ph.D. with 0 years or master’s degree with 3+ years’ experience in Computer Science, Data Science, Computational Chemistry, Chemical Engineering, or a related field.
• Technical Skills: Proficiency in programming languages such as Python, R, or C++. Demonstrated broad knowledge of Gaussian DFT software package, experience with applying machine learning techniques to chemical or biological data; familiarity with chemical development processes or organic chemistry is a plus.
• Analytical Skills: Strong analytical and problem-solving skills, with the ability to interpret complex data and develop actionable insights.
• Communication Skills: Excellent written and verbal communication skills to effectively collaborate with team members and present findings.
• Project Management: Ability to manage multiple projects simultaneously and meet deadlines in a dynamic research environment.

  Preferred Qualifications

• Experience with deep learning techniques and their application in chemical development.
• Knowledge of cheminformatics and bioinformatics tools.
• Experience in developing and utilizing machine learning interatomic potentials to enhance predictive modeling of chemical processes.