Principal Cheminformatics Scientist

Placements24; Kimberley; Hybrid; CAD 180,000 - 250,000; Full time

Benefits offered by this job

Fully remote work

Competitive salary

Stock options

Health insurance

Professional development

Conference access

Retirement plan with match

Flexible PTO

Job summary

Placements24 is seeking a Principal Cheminformatics Scientist for a fully remote role focused on drug discovery. Lead strategy, develop tools, and collaborate with chemists, biologists, and AI/ML researchers in a dynamic team.

The ideal candidate holds a Ph.D. in Cheminformatics or related field with 7+ years in QSAR and molecular modeling, and strong Python with RDKit/Open Babel. Mentoring and cross-disciplinary collaboration are essential.

Qualifications

• PhD in Cheminformatics, Computational Chemistry, Computer Science, or related field.
• 7+ years post-doc/industry experience in cheminformatics and computational chemistry for drug discovery.
• Experience applying cheminformatics tools (QSAR, molecular similarity, diversity analysis, 3D modeling).
• Strong Python programming and RDKit/Open Babel experience.
• Proficient in SQL; familiar with docking and molecular dynamics.
• Experience with AI/ML techniques in chemical data analysis is desirable.
• Excellent analytical, problem-solving, and strategic thinking skills.
• Strong communication and ability to work in a remote team.

Responsibilities

• Lead development and application of cheminformatics tools and databases for drug discovery projects.
• Design and implement computational strategies for virtual screening, hit identification, and lead optimization.
• Develop predictive models for compound properties, activity, and ADMET.
• Manage and curate large chemical and biological datasets with data quality and accessibility in mind.
• Collaborate with medicinal chemists to support hit-to-lead and lead optimization campaigns.
• Explore novel computational methodologies, including AI/ML approaches, in cheminformatics.
• Contribute to design of new chemical entities using structure- and ligand-based design principles.
• Stay updated on advancements in cheminformatics and drug discovery.
• Communicate complex scientific information to diverse audiences.
• Mentor junior scientists and grow cheminformatics capabilities within the organization.

Skills

Python

SQL

Data analysis

Strategic thinking

Mentor junior scientists

Remote collaboration

QSAR

Molecular modeling

3D modeling

AI/ML familiarity

Chemoinformatics

Problem solving

Communication

Education

PhD in Cheminformatics/Computational Chemistry/CS

Tools

RDKit

Open Babel

Docking software

Molecular dynamics

Job description

About the Role

Our client, a pioneering biopharmaceutical company at the forefront of precision medicine, is seeking a highly experienced Principal Cheminformatics Scientist to join their innovative research and development team. This is a fully remote position, offering an exceptional opportunity to contribute to groundbreaking drug discovery efforts from anywhere. You will be instrumental in developing and implementing advanced cheminformatics strategies, algorithms, and tools to guide the design and optimization of novel drug candidates. The ideal candidate will possess a Ph.D. in Cheminformatics, Computational Chemistry, Computer Science, or a related field, with a substantial track record in applying computational methods to medicinal chemistry challenges. You will collaborate closely with medicinal chemists, computational biologists, and AI/ML scientists in a highly dynamic and collaborative remote environment. We are looking for a strategic thinker with a deep understanding of chemical space, molecular modeling, and data analysis to drive efficiency and success in our drug discovery programs.

Key Responsibilities

• Lead the development and application of cheminformatics tools and databases for drug discovery projects.
• Design and implement computational strategies for virtual screening, hit identification, and lead optimization.
• Develop predictive models for compound properties, activity, and ADMET.
• Manage and curate large chemical and biological datasets, ensuring data quality and accessibility.
• Collaborate closely with medicinal chemists to provide computational support for hit-to-lead and lead optimization campaigns.
• Explore and implement novel computational methodologies, including AI/ML approaches, in cheminformatics.
• Contribute to the design of new chemical entities with desired properties using structure-based and ligand-based design principles.
• Stay abreast of the latest advancements in cheminformatics, computational chemistry, and drug discovery.
• Communicate complex scientific and technical information effectively to diverse audiences.
• Mentor junior scientists and contribute to the growth of the cheminformatics capabilities within the organization.

Requirements

• Ph.D. in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.
• Minimum of 7 years of post-doctoral or industry experience in cheminformatics and computational chemistry, with a focus on drug discovery.
• Proven experience in applying cheminformatics tools and techniques (e.g., QSAR, molecular similarity, diversity analysis, 3D modeling).
• Strong programming skills in Python and experience with relevant cheminformatics toolkits (e.g., RDKit, Open Babel).
• Proficiency in database management and querying (e.g., SQL).
• Experience with molecular modeling software and techniques (e.g., docking, molecular dynamics).
• Familiarity with AI/ML techniques and their application in chemical data analysis is highly desirable.
• Excellent analytical, problem-solving, and strategic thinking skills.
• Strong communication and collaboration skills, with proven ability to work effectively in a remote team.
• A passion for accelerating drug discovery through computational innovation.

Benefits

• Highly competitive salary and performance-based bonuses.
• Stock options and long-term incentive plans.
• Comprehensive health, dental, and vision insurance.
• Generous paid time off and holidays.
• Fully remote work environment with significant flexibility.
• Opportunities for professional development and attending scientific conferences.
• Access to cutting-edge computational resources and platforms.
• Collaborative and intellectually stimulating research culture.
• Retirement savings plan with company match.
• Work on impactful projects that advance human health.