Head of Molecule Design

Lead molecule design capability to deliver high-quality, best-in-class molecules for clinically validated targets, bringing Medicinal Chemistry, Analytical Sciences, and Structure-Based/Computational Chemistry together as an integrated unit. This is a new, strategic leadership role created to enable efficient delivery across portfolio—reducing silos, optimising CRO interactions, and establishing Integrated Drug Discovery (IDD) as a scalable, business-valuable approach. The role operates within an asset-focused, biotech-style project team model with clear accountability for delivery, decision-making, resource deployment, and budget stewardship.

Context and strategic intent

• New role designed to unify Medicinal Chemistry, Analytical Sciences, and SBDD/Modelling/Computational Chemistry into a single, high-performing Molecule Design group.
• Supports a large, multi-asset portfolio with both internal programs and partnered collaborations; ensures consistent standards, pace, and decision quality across projects.
• Builds and shapes Discovery Operations (CRO management with KPIs, compound management and logistics) to improve throughput, quality, and predictability.
• Drives IDD initiatives with vendors and internal stakeholders to improve design–make–test–analyse cycles, cost efficiency, and value creation.
• Requires strong stakeholder management and cultural awareness, bridging between Director/Senior Director levels and senior leadership; sets clear ways of working while maintaining trust and alignment.

Key accountabilities

1) Molecule design strategic leadership (integrated discipline leadership)

• Set the end-to-end molecule design strategy across the portfolio, aligned to target product profiles and program differentiation goals.
• Lead and integrate Medicinal Chemistry, Analytical Sciences, and SBDD/Modelling/Computational Chemistry to operate as one unit—shared priorities, shared plans, shared accountability.
• Establish clear decision frameworks for design hypotheses, progression criteria, Target Molecule Profiles and trade-offs (potency/selectivity, ADME/PK, developability, IP, safety-related liabilities).
• Ensure consistent scientific standards, documentation quality, and reproducibility across internal and partnered programs.

2) Portfolio delivery, resourcing, and performance management

• Own resource strategy across internal and external teams, balancing speed, quality, and cost across multiple concurrent programs.
• Translate portfolio priorities into integrated workplans, ensuring right skills at the right time across projects (internal and partnered).
• Define measurable performance indicators for molecule design delivery (cycle times, design success rate, data quality, portfolio throughput) and drive continuous improvement.
• Partner with Project Leaders to provide transparent delivery forecasts, scenario plans, and risk mitigation.

3) Build and lead Discovery Operations (CRO management, KPIs, compound logistics)

• Design, build, and develop a Discovery Operations capability to support Molecule Design at scale.
• Establish CRO management best practice: selection, onboarding, KPI dashboards, quality oversight, issue escalation, and performance-based continuous improvement.
• Oversee compound management and logistics (inventory, shipment, storage, chain-of-custody where needed), enabling reliable “make–ship–test” execution.
• Implement clear governance and service levels between Molecule Design teams and Discovery Operations to avoid bottlenecks and ambiguity.

4) Integrated Drug Discovery (IDD) initiatives and vendor innovation

• Drive new initiatives that improve IDD capability (e.g., faster DMTA loops, improved data integration, modern informatics/ELN/LIMS utilisation, predictive tools).
• Evaluate and pilot external solutions and partnerships with vendors that meaningfully improve cycle time, quality, and cost per learning.
• Lead cross-functional stakeholder engagement (biology, DMPK, translational, preclinical development, CMC as appropriate) to ensure IDD solutions fit end-to-end value creation.
• Make IDD operationally scalable and commercially credible—clear benefit cases, adoption plans, and measurable impact.

5) AI/Computational Enablement & R&D Bridge

• Strategic bridge between R&D and the AI unit: act as the primary R&D interface to translate portfolio needs into AI-enabled molecule design objectives (e.g., hit-to-lead acceleration, multiparameter optimisation, scaffold hopping, design-make-test prioritisation).
• Shape AI product roadmap for molecule design: influence prioritisation of AI tool development (models, workflows, data products) to ensure fit-for-purpose solutions aligned to the operating model and project delivery timelines.
• Gatekeeper for AI-derived designs entering prosecution: establish decision criteria and review processes to determine which AI outputs progress into synthesis, ensuring scientific credibility, tractability, and alignment with programme strategy.
• Integrate AI outputs into end-to-end DMTA cycles: embed AI tools within routine design reviews and sprint planning, ensuring outputs are actionable for Medicinal Chemistry and supported by Analytical and SBDD/CompChem assessment.

6) Budget ownership, finance/procurement partnership, and strategic alliances

• Own Molecule Design and Discovery Operations budgets, including internal/external resourcing and vendor spend.
• Partner closely with Finance and Procurement to build robust forecasting, control, and value-based sourcing decisions.
• Shape strategic partnerships and preferred provider models that improve predictability, quality, and commercial terms.
• Provide BD-facing support where relevant: diligence-ready narratives on discovery capabilities, externalised work, and vendor/partner strategy.

Key interfaces

• Analytical Sciences, Medicinal Chemistry, and SBDD/Computational Chemistry teams: unified planning, standards, and delivery cadence.
• Senior leadership stakeholders across TA Biology and structural biology Platform: integrated target-to-candidate delivery and decision making.
• Project/Portfolio Management: prioritisation, governance inputs, delivery reporting, risk management.
• Finance and Procurement: budget planning, strategic sourcing, preferred vendor frameworks.
• External CROs, vendors, and partners: performance management, data quality, and delivery predictability.
• Business Development (as needed): discovery capability positioning, diligence support for partnered programs.

Leadership expectations

• Creates alignment across disciplines and levels; builds a culture of shared ownership and transparency.
• Balances scientific ambition with delivery pragmatism; makes timely, well-reasoned decisions under uncertainty.
• Brings strong “bridge leadership” capability—trusted by Director/Senior Director leaders while providing clear, confident direction to the organisation and SVP stakeholders.
• Develops talent, sets clear expectations, and builds scalable operating routines that reduce friction and rework.

Qualifications and experience

• PhD (or equivalent) in Medicinal Chemistry, Chemistry, Pharmaceutical Sciences, Computational Chemistry, or related discipline; or extensive relevant industry experience.
• Senior leadership experience spanning medicinal chemistry and at least one adjacent molecule design discipline (analytical sciences and/or SBDD/computational chemistry), with a proven track record of integrated delivery.
• Demonstrated portfolio leadership: resourcing, prioritisation, governance contributions, and delivery across multiple concurrent projects.
• Strong externalisation experience: CRO/vendor selection and management, KPI-driven performance oversight, and quality systems awareness.
• Experience building or transforming operating models (reducing silos, improving DMTA cadence, implementing operational infrastructure).
• Commercial and partnering fluency: ability to articulate capability value, manage strategic alliances, and support diligence/partner interactions when required.

…