Lipid Cheminformatics Scientist: AI/ML Focus

PE Global (UK); Bracknell; Hybrid; GBP 51,000 - 68,000; Full time

Job summary

PE Global (UK) seeks a Cheminformatics researcher for a 12-month contract based in Arlington, Bracknell, with a minimum 2 days per week in the office. You will apply traditional and state-of-the-art cheminformatics and AI/ML to explore lipid lipids for tLNP formulation, and contribute to lipid libraries and predictive models.

The role emphasizes lipid topology, data quality, and cross-functional collaboration, with strong Python programming and visualization skills essential for advancing in

Qualifications

• PhD in Cheminformatics, Computational Chemistry, or related field with 4+ years of experience.
• Proven experience applying cheminformatics and AI/ML methods to lipid analysis and design.
• Proven experience in data analytics, AI/ML modelling in the context of cheminformatics.
• Strong scientific programming skills (Python) and data visualization experience.
• Experience with small molecules or lipids is preferred.

Responsibilities

• Identify or develop optimal molecular representations for lipids involved in lipid nanoparticles.
• Develop workflows to analyze lipid structures in internal and public datasets, classify them, and extract key physicochemical features.
• Process internal and external building blocks compatible with available chemistry to engineer lipid structures, including motif identification for formulations and in-vivo readouts.
• Contribute to generation/refinement of a virtual lipid library iterated by data-structure analysis, cheminformatics, and AI/ML methods.
• Create, validate and assess models relating lipid structure descriptors to formulation and in-vivo readouts; model Molecule-Particle relationships.
• Generate workflows for diversity selection and prioritization of lipids to maximize chemical space exploration and model applicability.
• Ensure consistent analysis by lipid topology and extract information about each part's role in formulation and readouts.
• Contribute to data quality and curation workflows across lipid/nanoparticle data.
• Support experimental setup for synthesis and formulation to produce high-quality curated data for model prediction.
• Cultivate cross-functional cheminformatics and computational chemistry collaborations.

Skills

Python

Cheminformatics

AI/ML

Data analytics

Data visualization

Statistical principles

Lipids knowledge

Education

PhD in Cheminformatics / Computational Chemistry

Tools

Cheminformatics toolkits

Job description

PE Global (UK) seeks a Cheminformatics researcher for a 12-month contract based in Arlington, Bracknell, with a minimum 2 days per week in the office. You will apply traditional and state-of-the-art cheminformatics and AI/ML to explore lipid lipids for tLNP formulation, and contribute to lipid libraries and predictive models.

The role emphasizes lipid topology, data quality, and cross-functional collaboration, with strong Python programming and visualization skills essential for advancing in