Currently I provide scientific and operational leadership within the Research Informatics group. This has involved contributing in a number of areas:- Shaping the direction of scientific progress within the Research Informatics group. I have identified a number of strategic opportunities, and planned and managed resources to enable development in these new areas whilst continuing to fulfill existing project requirements. My team have worked on a number of contemporary areas of research, including cloud computing and deep learning. - Operating at the intersection of chem- and bioinformatics, I lead the development of computational tools and infrastructure to support the company’s chemical biology capabilities. This has involved integrating public data and tools with proprietary information to make positive impacts on a substantial number of phenotypic screening projects, for example through library design, target deconvolution and predictive pharmacology.- Line managing a number of PhD level scientists, successfully recruiting and integrating new team members into the group whilst facilitating the development of more experienced individuals.- Managing multiple internal and externally facing projects to positive outcomes, including contract renewal and additional work with the same client.- Providing novel ideas, feedback and strategic input into a wide range of multi-disciplinary projects for both internal research teams and external clients, contributing directly to a number of significant milestone payments.- Leading the modelling/informatics input on a number of successfully converted business proposals.- Academic outreach activities including the recruitment and mentoring of undergraduate and PhD students, bringing new perspectives into the group whilst helping to develop the next generation of scientists.

Applied a wide variety of computational modelling techniques, including structure, ligand and fragment-based design, molecular dynamics and homology modelling, across multiple therapeutic areas such as inflammation, oncology, immunology and metabolics. Projects covered target classes including protein-protein interactions, metalloenzymes and epigenetic modulators, as well as phenotypic screening approaches. Frequently and independently balanced workload to support a number of projects simultaneously. Regularly presented analysis and ideas to internal teams, external collaborators and commercial clients. Also engaged in business development support activities, including target assessment and library profiling, leading to successful project proposals, and contributed to large grant applications.- Led the development of computational tools to support in silico target deconvolution within phenotypic screening initiatives, incorporating both statistical modelling and bioinformatics techniques.- Proposed and implemented a new project database design, leading to more efficient, extensible and robust data storage.- Conceived and performed a chemical space analysis in the area of agrochemicals, generating a number of insights including a predictive model to improve the design and development process in this domain. Successful prosecution of this project led to a second, larger engagement with the same client.In addition to proprietary tool development, this work involved extensive use of a number of commercial and open source software packages, including MOE, KNIME, the ChemAxon toolset, the CCDC suite, Spotfire, the OpenEye tools, GAMESS and R.

As a member of the Research Technologies group, developed and applied computational expertise in a number of areas:- Member of the advisory group that oversaw the transition of the company to a designed polypharmacology approach to novel therapeutics. Conceived and implemented computational systems to facilitate this approach, integrating both proprietary and public domain data.- As a core member of the translational research group, participated in the planning and analysis of mechanistic studies supporting the company’s clinical assets.- Improved information storage and the allocation of synthetic resources during therapeutic projects by designing and implementing a compound idea management system.- Facilitated parallel synthesis planning by significantly enhancing a library design tool.- Expedited the progression of a number of early stage discovery programs by providing molecular modelling expertise.- Planned and led electronic lab notebook migration projects in both chemistry and pharmacology domains, considerably enhancing the accessibility of corporate scientific information.- Acted as a supervisor for an informatics student, facilitating a successful project from both the company’s and student’s perspective.- Designed and implemented a new IT change control system, enabling the completion of key organizational updates in a timely fashion.- Identified and evaluated a number of commercial software solutions in the area of computational chemistry/chemoinformatics.

As a member of a research group focused on the development, application and experimental validation of computer-aided drug design methods:- Lead representative in collaborations with the NIH, performing statistical analysis and QSAR modelling on a large metabolism dataset, and IBM, developing proprietary molecular shape-matching software.- Responsible for integrating and streamlining existing group expertise in computational drug discovery, resulting in a more efficient and robust workflow. This included integration of proprietary methods such as novel fragmental descriptors, as well as infrastructure development such as a compound registration database.- Administrated a Linux network including several clusters, web and database servers, providing computing facilities for a group of 17 scientists.

- Member of the team that, in collaboration with a major pharmaceutical company, made significant improvements to De Novo’s principal piece of discovery software, enhancing its utility to end users.- Liaised with the application architecture group to allow access to the company’s proprietary design software as a customer service, providing a revenue stream.- Represented algorithm input on multiple internal projects, facilitating rollout of new features to the design teams and improving the software development cycle by assessing future requirements in situ.