Principal Cheminformatician - Drug Design

Placements24; Durban; Hybrid; ZAR 1,200,000 - 2,400,000; Full time

Benefits offered by this job

Competitive salary

Health, retirement, and life insurance

Generous paid time off

Training and conference participation

Access to computational resources

Collaborative research environment

Job summary

Placements24 in Durban, South Africa, seeks a Principal Cheminformatician to lead early-stage drug discovery. You will develop and deploy advanced cheminformatics tools, analyze large chemical datasets, and guide synthetic chemistry efforts within a multidisciplinary team.

The role requires a PhD and 8+ years in pharma/biotech, with expertise in SMILES, Molfile, RDKit, KNIME, Schrödinger, Python and Java, plus machine learning for chemical data.

Qualifications

• PhD in Cheminformatics, Computational Chemistry, Organic Chemistry, Computer Science, or related field.
• Minimum 8 years of relevant experience in the pharmaceutical or biotech industry.
• Expertise in chemical data representation (SMILES, Molfile) and analysis.
• Strong proficiency with cheminformatics toolkits and programming (Python, Java).
• Demonstrated experience with machine learning applied to chemical data.
• Solid understanding of medicinal chemistry and drug discovery processes.
• Experience with molecular modeling, docking, and QSAR is advantageous.
• Excellent analytical, problem-solving and communication skills; able to lead in Durban.

Responsibilities

• Lead the development and application of cheminformatics strategies for drug discovery projects.
• Design, implement, and validate predictive models for activity, selectivity, and ADMET properties.
• Develop and maintain large-scale chemical databases and knowledge management systems.
• Apply machine learning and statistical methods to analyze SAR and guide lead optimization.
• Collaborate with medicinal chemists to design novel molecules with desired pharmacological profiles.
• Evaluate and implement new cheminformatics software and technologies.
• Visualize and interpret complex chemical and biological data to derive actionable insights.
• Mentor junior cheminformaticians and contribute to scientific publications and presentations.
• Stay current with emerging trends and methodologies in cheminformatics and drug discovery.

Skills

Python

Java

Machine learning

QSAR

Molecular modeling

Chemical data analysis

Leadership

Education

PhD in Cheminformatics / related field

Tools

RDKit

KNIME

Schrödinger Suite

Job description

About the Role

Our client, a globally recognized pharmaceutical research company with a significant presence in Durban, KwaZulu-Natal , is seeking a highly accomplished Principal Cheminformatician to drive innovation in early-stage drug discovery. This senior role is within the Scientific Research & Development division, focusing on the application of computational methods to design and optimize novel drug candidates. You will be responsible for developing and deploying advanced cheminformatics tools and algorithms to analyze large chemical and biological datasets, predict molecular properties, and guide synthetic chemistry efforts. This position offers a unique opportunity to work on challenging projects at the intersection of chemistry, biology, and data science, contributing to the development of life-saving medicines. The ideal candidate possesses a deep understanding of chemical structures, molecular modeling, and machine learning techniques. You will collaborate closely with medicinal chemists, biologists, and computational scientists to accelerate the drug discovery pipeline. Join our esteemed team in Durban and shape the future of pharmaceutical innovation.

Key Responsibilities

• Lead the development and application of cheminformatics strategies for drug discovery projects.
• Design, implement, and validate predictive models for compound activity, selectivity, and ADMET properties.
• Develop and maintain large-scale chemical databases and knowledge management systems.
• Apply machine learning and statistical methods to analyze structure-activity relationships (SAR) and guide lead optimization.
• Collaborate with medicinal chemists to design novel molecules with desired pharmacological profiles.
• Evaluate and implement new cheminformatics software and technologies.
• Visualize and interpret complex chemical and biological data to derive actionable insights.
• Mentor junior cheminformaticians and contribute to scientific publications and presentations.
• Stay current with emerging trends and methodologies in cheminformatics and drug discovery.

Requirements

• Ph.D. in Cheminformatics, Computational Chemistry, Organic Chemistry, Computer Science, or a related field.
• Minimum of 8 years of relevant experience in the pharmaceutical or biotech industry.
• Expertise in chemical data representation (e.g., SMILES, Molfile), searching, and analysis.
• Strong proficiency in cheminformatics toolkits (e.g., RDKit, KNIME, Schrödinger Suite) and programming languages (Python, Java).
• Demonstrated experience with machine learning algorithms and their application to chemical data.
• Solid understanding of medicinal chemistry principles and drug discovery processes.
• Experience with molecular modeling, docking, and QSAR studies is highly advantageous.
• Excellent analytical, problem-solving, and communication skills.
• Ability to work independently and lead complex research initiatives in Durban.

Benefits

• A leading salary package and attractive bonus structure.
• Comprehensive health, retirement, and life insurance benefits.
• Generous paid time off and company holidays.
• Opportunities for advanced training and conference participation.
• Access to world-class computational resources and cutting-edge technologies in Durban.
• A highly collaborative and intellectually stimulating research environment.
• Potential for significant career progression within a global organization.
• Contribute to the development of novel therapeutics.