Project Data Scientist (F/M/D)

Job description

Project Data Scientist (F/M/D)
Introduction: Join a brand new department “Molecular Architects within Molecular Discovery”
Molecular Discovery is a synthesis methodology, technology & multi-modality focused organisation comprised of three global business units: Molecular Architects (Design and Analyse), Synthetic Chemistry and Analytical Chemistry (Make) focused on multi-modalities including small molecules, macrocycles, natural products, peptides and Biologics (ASOs, RNAs, ADCs).
Molecular Architects are playing a major role driving the design phase and encompassing a broad skill set spanning computational medicinal chemistry. We expect to create industry-leading expertise in designing drug intervention strategies where new workflows implementing Artificial intelligence and Machine Learning to supercharge Design-Synthesis feedback loops will be combined with Evotec's integrated R&D expertise. This support applies all along the value chain with the objective to progress compounds/projects towards pre-development candidate nomination
General Summary : work as Project Data Scientist in the Molecular Architect department to apply cutting-edge computational tools, experience, knowledge & AI/ML approaches and deliver on transverse on projects
Missions and responsibilities:
  • Provide data collection, data curation, data normalization, data filtering, data visualization, and build AI/ML models for multiple drug discovery and drug design projects
  • Interact synergistically with other Computational Molecular Architects, Drug Hunter Molecular Architects, Bio-statisticians, and isR&D scientists, and create momentum
  • Build and implement, in collaboration with RI and isR&D departments, pipelines for data collection, curation, normalization, visualisation, filtering, and for building QSAR and AI/ML models
  • Homogenize and optimize data treatments and AI/ML modelling across projects
  • Participate to the building of data treatment pipelines and models with small molecule drug discovery projects as well as in new domains like RNA small compound binders, molecular glues, protacs, ribotacs
  • Interact constructively with multidisciplinary projects teams
  • Understand new ML and AI methods and perform retrospective and prospective tests on benchmarks and on projects
  • Understand experimental methods and assays generating the data, and their reproducibility and validity domain
  • Realize key contributions in libraries design, target validation, hit identification, hit to lead, and lead optimization phases
  • Adapt the scientific knowledge for solving research problems to achieve key milestones
  • Present own work at project and department meetings
  • Scouting, reading and analysis of literature on data science
  • Publication in peer-reviewed journals, presentation at scientific conferences, and patents
  • Participate actively in the scientific development of the Molecular Architect department
Knowledge, skills and abilities:
  • Understanding of basics in computational chemistry, medicinal chemistry and ADME principles in drug discovery environment
  • Good knowledge of software packages and technologies used in data science
  • Expertise in ML modelling: clustering, bootstrapping, random forest, SVM, logistic regression, classification, ROC curves, etc…
  • Knowledge of AI/DL principles
  • Knowledge of key statistical methods, in the R environment
  • Good knowledge of programming environments including Python
  • Good knowledge in pipelining environments, including Knime
  • Good knowledge of chemical software packages and methods: ChemAxon, Marvin Sketch, descriptors calculation with MOE and RDkit, Morgan fingerprints, Tanimoto similarity
  • Good knowledge of space reduction analysis and visualization: PCA and t-SNE
  • Experience applying machine learning methods for predictive modelling of chemical properties.
  • Scientific rigor and excellent analytical and synthetic capabilities
  • Ability to work in multi-disciplinary teams (molecular architects, isR&D, in vitro and in vivo pharmacology, etc…), with multiple projects in parallel, and to deliver high-quality results
  • Excellent communication skills and ability to communicate effectively with other scientists
  • Ability to adapt in terms of novel priorities and to make constructive recommendations or suggestions
  • Dynamic personality with passion for innovation and problem-solving
  • Experience on RNA chemical compound binders would be a plus
  • Fluency in written and spoken English. French is a plus
Experience and education : Master or PhD in data science, cheminformatics, or in-silico drug design with first experience in industry and/or academic environment in related field(s). Scientific experience in developing methodologies, tools and workflows
  • Make positive changes to patient life by building and using the most innovative AI/ML driven drug discovery platform within a leading-edge company
  • Work in an intellectually stimulating and multi-disciplinary environment
FR : Dans le cadre de sa politique Diversité, Evotec étudie, à compétences égales, toutes les candidatures dont celles des personnes en situation de handicap.
ENG : In the frame of our Diversity policy, Evotec studies, with equal competences, all the applications including people with disabilities.


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