Senior Data Engineer - Chemoinformatics

To support our Team in Schwabenheim (near Mainz), we are looking for a

Senior Data Engineer - Chemoinformatics (m/f/d)

Your Responsibilities and Tasks

• You are responsible for implementing, managing, and leading globally the interface between business and IT in the chemoinformatics area, which includes the process and data analysis. In this position, you will work closely with both our stakeholders and scientists in the R&D Drug Discovery Chemistry, Antiparasitics and Antiinfective Teams as well as with interdisciplinary IT Development Teams (e.g., data science, database, product teams). The requirements/roles are project-dependent and differ from project to project.

• You will provide computational guidance and solutions to support solving chemistry-related problems

• Partner with R&D Drug Discovery Chemistry, Antiparasitics, Antiinfective, and interdisciplinary IT teams to enable efficient Design-Make-Test-Analyze workflows and support data-driven decision-making

• Collaborate with Animal Health and Human Health discovery teams to evaluate, apply, optimize, and visualize machine learning models for novel scientific questions (e.g. ADMET models)

• In this position you will implement, coordinate, and use machine learning approaches to accelerate the research and capabilities in new areas relevant to chemistry in small molecules drug discovery and development

Main responsibilities

• You will collaborate with our Animal Health and Human Health Drug Discovery teams on multiple innovative projects evaluating, analyzing, applying, visualizing, and optimizing existing Machine Learning Models to answer and predict novel scientific questions

• Translate business and user needs into proper solutions using the right tools in the High-Performance Clusters (HPC) and cloud-based infrastructure

• Work with IT development teams to implement and ensure that they fully understand the specifications

• Work in various intercultural local and virtual global teams in cooperation with business representatives and different IT groups in providing innovative cheminformatics solutions in discovery of novel pharmaceuticals

• Proactive coordination and communication between the different business stakeholders, IT developers and the supporting functions across the interdisciplinary team including adaptation of Business Intelligence and Modeling Tools

The primary activities include but are not limited to

• Lead and Contribute to the development of data analysis workflows and chemoinformatic next generation machine learning solutions

• Support and partner with drug discovery researchers and external collaborators in the planning, analysis, interpretation, presentation, and publication of diverse chemical and biological data sets

• Responsible for analyzing and interpreting chemical and biological data, analyzing, and testing virtual screening data, and support in the decision-making process of the project teams for potential drug candidates

• Additionally, lead, develop and validate predictive models, collaborate with multidisciplinary teams, and contribute to software and tool development

• Provide chemoinformatic consulting and software training to researchers

• Provides computational guidance/simulations to support solving chemistry-related problems

• Defines use of machine learning approaches to enhance modeling capabilities in new areas relevant to chemistry-related drug discovery and development

Detailed Activities

• Data Analysis and Interpretation: Accountable for analyzing and interpreting chemical and biological data using computational tools, algorithms, and statistical techniques. Derive meaningful insights from the data to support decision-making in drug discovery projects.

• Data Mining and Analysis: Extract meaningful information from chemical (Biovia, Perkin Elmer products) and biological databases (Activity Base, IDBS), enabling the identification of patterns, relationships, and trends that aid in the discovery of novel chemical entities and optimization of existing molecules

• Virtual Screening: Employ computational methods to efficiently screen large chemical databases, accelerating the drug discovery process by identifying potential drug candidates or bioactive compounds

• Collaborate with cross functional teams globally on AI/ML initiatives. Knowledge to analyze models, tools, and methods in this area like Stardrop, MOE, RDKit, Spotfire, PyMOL etc is a plus

• Cheminformatics Software Development: Contribute to the development of software tools and algorithms tailored for chemical data processing, analysis, and modeling, testing, and enhancing workflow efficiency, data management, and facilitating access to powerful computational methods for the scientific community

Your Qualifications

• Academic level - e.g., graduated bachelor or master's degree in Chemoinformatic

• Ideally a PhD in Life Science and a strong background in implementing chemoinformatic approaches for drug discovery small molecules

• Experienced in implementing chemoinformatic approaches for drug discovery small molecules including common tools like Schrödinger LiveDesign, MOE, TorxMake, DataGrok and high-throughput platforms from Biovia, Perkin Elmer and IDBS vendors

• Extensive and broad experience in computational chemistry

• Familiarity with AWS cloud environments and big data approaches

• Solid programming skills and knowledge of statistical methods

• Fluent written and spoken English and German languageproficiency

We are proud to be a company that embraces the value of bringing diverse, talented, and committed people together. The fastest way to breakthrough innovation is when diverse ideas come together in an inclusive environment. We encourage our colleagues to respectfully challenge one another's thinking and approach problems collectively. We are an equal opportunity employer, committed to fostering an inclusive and diverse workplace.

People with severe disabilities and their equals are given preference if they are equally qualified.

Required Skills

Business Intelligence (BI), Cheminformatics, Data-Driven Decision Making, Data Engineering, Data ETL, Data Management, Data Science, Data Visualization, Drug Discovery Process, IT Project Lifecycle, Machine Learning (ML), Molecular Analysis, Multidisciplinary Collaboration, Project Management, PyMOL, Software Development

Preferred Skills

Data Analysis, Data Mining, Predictive Modeling, Python (Programming Language), Structured Query Language (SQL)