Principal Scientist - Cheminformatics

Placements24; Sandton; Hybrid; ZAR 1,800,000 - 3,200,000; Full time

Benefits offered by this job

Executive salary

Bonus potential

Health insurance

Paid time off

Remote work

Development budget

Strategic impact

Job summary

Placements24 seeks a visionary Principal Scientist in Cheminformatics to lead their computational chemistry efforts from a remote capacity, driving drug discovery with advanced informatics, ML, and data science.

You will develop strategies, manage large datasets, collaborate with chemists and biologists, mentor staff, and help shape the direction of discovery in a flexible remote-first environment.

Qualifications

• PhD in Cheminformatics, Computational Chemistry, CS or related quantitative field.
• 8+ years in cheminformatics with leadership in drug discovery.
• Proficient with RDKit/KNIME and Python.
• Strong ML applied to chemical data.
• Experience with database management and software practices.

Responsibilities

• Lead development of cheminformatics tools for drug discovery.
• Apply ML and data mining to analyze chemical structures and activity data.
• Design algorithms for virtual screening and library design.
• Manage large chemical/biological databases with data integrity.
• Mentor junior cheminformaticians and shape discovery strategy.

Skills

Python

RDKit

KNIME

Machine learning

Data management

Software development

Remote collaboration

Education

PhD in Cheminformatics / Computational Chemistry / CS

Tools

RDKit

KNIME

Python

SQL

Job description

About the Role

Our client is looking for a visionary Principal Scientist in Cheminformatics to lead their computational chemistry efforts from a remote capacity. This senior role is critical for driving drug discovery through the application of advanced computational methods, machine learning, and data science to chemical and biological data. You will be responsible for developing and implementing novel informatics strategies, managing large chemical datasets, and collaborating with chemists and biologists to accelerate the identification and optimization of drug candidates. This is an unparalleled opportunity for a leader in cheminformatics to shape the future of drug discovery in a flexible, remote-first setting.

Key Responsibilities

• Lead the development and implementation of cheminformatics tools and platforms to support drug discovery programs.
• Apply machine learning, statistical modeling, and data mining techniques to analyze chemical structures and biological activity data.
• Design and develop novel algorithms for virtual screening, property prediction, and compound library design.
• Manage and curate large chemical and biological databases, ensuring data integrity and accessibility.
• Collaborate closely with medicinal chemists, biologists, and computational scientists to translate research needs into computational solutions.
• Mentor junior cheminformaticians and contribute to the strategic direction of computational drug discovery efforts.

Requirements

• Ph.D. in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field with a strong computational focus.
• Minimum of 8 years of experience in cheminformatics, with a proven track record of leadership and innovation in drug discovery.
• Extensive experience with cheminformatics toolkits (e.g., RDKit, KNIME) and programming languages (e.g., Python).
• Deep understanding of machine learning algorithms and their application to chemical data.
• Experience with database management and software development best practices.
• Exceptional problem-solving skills and the ability to communicate complex concepts effectively in a remote environment.

Benefits

• Executive-level salary and significant bonus potential.
• Comprehensive benefits package including top-tier health, dental, and vision insurance.
• Generous paid time off and flexible remote work options.
• Substantial budget for professional development, conference attendance, and home office support.
• The chance to influence strategy and drive innovation at the forefront of computational drug discovery.