Conceive and implement novel experimental approaches to answer scientific questions. Investigate, identify, develop, and optimize new methods and techniques. Contribute to project science in area of expertise. Develop productive collaborations and communications with other groups across science disciplines.

Responsibilities

• Consult with project team to establish quantitative targets for driving optimization
• Work with project team to identify suitable models to predict small molecule binding affinities for protein targets, and to predict pharmacological properties (PK parameters, etc.)
• Work with project team to build predictive models for each relevant endpoint, and carefully benchmark to evaluate performance and domain of applicability for each model
• Work with project team to identify the model that should be used for each project team query molecule, using data-driven approaches that take account of model uncertainty and heteroscedasticity
• Clearly communicate to the project team the rationale for model selection and why the selected models are best suited for the task at hand