Principal Scientist - Cheminformatics

Placements24; Greater London; Hybrid; GBP 90,000 - 120,000; Full time

Benefits offered by this job

Healthcare benefits

Pension plan

Performance-based incentives

Conference attendance and training

Job summary

Our client, a leading pharmaceutical research organization in East London, seeks a Principal Scientist in Cheminformatics to drive computational drug discovery efforts. The role combines leadership, advanced modeling, and data-driven decision making within a hybrid work environment.

You will collaborate with medicinal chemists, biologists, and data scientists to build tools, databases, and models that accelerate lead optimization and project success.

Qualifications

• PhD in Cheminformatics or related quantitative field.
• 7+ years in cheminformatics with drug discovery focus.
• Proven ability to develop and apply cheminformatics tools and algorithms.
• Proficient in Python and cheminformatics libraries.

Responsibilities

• Lead development and application of cheminformatics tools for drug discovery.
• Design and manage large-scale chemical/biological databases.
• Develop predictive models for activity, ADMET, and synthetic feasibility.
• Apply similarity searching, clustering, and scaffold hopping for lead optimization.
• Collaborate with medicinal chemists to design focused libraries.
• Analyze SAR and SPR to guide programs.
• Stay updated on advances in cheminformatics and computational chemistry.
• Mentor junior scientists and shape group strategy.
• Prepare reports, presentations, and publications.
• Ensure data integrity and promote best practices.

Skills

Python

Cheminformatics

RDKit

Open Babel

QSAR/QSPR modeling

SQL/NoSQL

Data visualization

Leadership

Education

PhD in Cheminformatics or related field

Tools

RDKit

Open Babel

Job description

About the Role

Our client, a leading pharmaceutical research organization situated in East London , is seeking a highly experienced Principal Scientist specializing in Cheminformatics. This hybrid role is instrumental in accelerating drug discovery efforts by leveraging computational approaches to analyze and interpret chemical and biological data. You will lead initiatives in developing and applying advanced computational methods, databases, and predictive models to guide medicinal chemistry programs. This position requires a deep understanding of chemical structures, molecular properties, and computational algorithms, combined with a passion for innovation in drug discovery. You will collaborate closely with medicinal chemists, biologists, and data scientists in a stimulating research environment.

Key Responsibilities

• Lead the development and application of cheminformatics tools and methodologies to support drug discovery projects.
• Design, build, and manage large-scale chemical and biological databases.
• Develop predictive models for compound activity, ADMET properties, and synthetic feasibility.
• Apply computational techniques such as similarity searching, clustering, and scaffold hopping to guide lead optimization.
• Collaborate with medicinal chemists to design focused compound libraries and identify promising lead candidates.
• Analyze and interpret structure-activity relationships (SAR) and structure-property relationships (SPR).
• Stay abreast of the latest advancements in cheminformatics, computational chemistry, and related fields.
• Mentor junior scientists and contribute to the strategic direction of the cheminformatics group.
• Prepare reports, presentations, and publications documenting research findings.
• Ensure data integrity and promote best practices in cheminformatics workflows.

Requirements

• Ph.D. in Cheminformatics, Computational Chemistry, Chemistry, Computer Science, or a related quantitative field.
• A minimum of 7 years of progressive experience in cheminformatics, with a significant focus on drug discovery.
• Proven expertise in developing and applying cheminformatics tools and algorithms.
• Proficiency in programming languages such as Python, with experience in libraries relevant to cheminformatics (e.g., RDKit, Open Babel).
• Strong knowledge of chemical data representation, molecular descriptors, and QSAR/QSPR modeling.
• Experience with database management (SQL, NoSQL) and data visualization tools.
• Familiarity with computational chemistry methods and molecular modeling is a plus.
• Excellent analytical, problem-solving, and communication skills.
• Ability to lead projects and collaborate effectively in a hybrid work environment.
• Demonstrated ability to manage multiple tasks and deliver results under tight deadlines.

Benefits

• This Principal Scientist position offers a competitive annual salary package up to ZAR, commensurate with your expertise and contributions.
• Excellent medical and dental insurance.
• Retirement savings plan.
• Performance-based incentives.
• Opportunities for professional growth through attendance at leading scientific conferences and specialized training.

Our client provides a comprehensive benefits program, including excellent medical and dental insurance, a retirement savings plan, performance-based incentives, and opportunities for professional growth through attendance at leading scientific conferences and specialized training.

You will work in a cutting-edge research environment with access to advanced computational resources and collaborate with a world-class team of scientists dedicated to developing life-saving medicines in East London .