Computational Researcher

Desired Skills: computational chemistry,lipids,python,chemistry,cheminformatics

PE Global is currently recruiting for a Cheminformatics Researcher on behalf of a leading global pharmaceutical organisation.

Contract duration: 12 months

Location: Bracknell

Rate: £43.00-£56.00 per hour PAYE

Role Overview

Applying traditional and state-of-the-art cheminformatics methods and AI/ML technologies to drive the chemical space experimental exploration of lipids forming tLNP (Targeted Lipids Nanoparticles), by leading generation and iterative refinement of lipids libraries capturing structural features, chemical intuition and molecular modeling insights.

Key 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.
• Identify optimal internal and external building blocks compatible with available chemistry to engineer lipid structures.
• Generate and refine a virtual lipid library that is iterated by data-structure analysis (cheminformatics and AI/ML methods), chemical intuition, and molecular modelling insights.
• Create, validate and assess performance of predictive models relating lipid’s structure-based descriptors with formulation and in-vivo readouts.
• Ensure consistent analysis and model predictions by lipid topology (i.e. whole lipid, head, linker, tail(s)), extracting information about the possible role of each part of the lipid on the formulation and in-vivo readouts.

Candidate Requirements

• PhD in Cheminformatics, Computational Chemistry, or related field with 4+ years of experience in relevant research and/or industrial 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 and solid grasp of statistical principles.
• Strong scientific programming skills (Python essential) and experience building data visualizations.
• Understanding of tLNP formulation process and particle measured properties.
• Understanding of tLNP components roles, including key properties of each component and of the tLNP as a whole (i.e. pKa vs apparent pKa, etc.).
• Understanding of synthesis and purification challenges of lipids.
• Deep knowledge of chemoinformatics toolkits

Interested candidates should submit an updated CV.

Please click the link below to apply or email a copy of your CV to karen@peglobal.co.uk or for more information call +442081491060

***Please note our client cannot assist with any visa sponsorship and candidates must have the correct visa to live and work in the United Kingdom***