Cheminformatics & Data Scientist/ Senior Cheminformatics & Data Scientist

Job Summary:

Medicines for All (M4ALL), a part of Virginia Commonwealth University, is an entrepreneurial, impact-oriented institute dedicated to dramatically improving global access to lifesaving medicines. We achieve this through synthetic process innovation and advanced technology deployment to reduce costs and waste in small molecule drug substance (active pharmaceutical ingredient; API) manufacturing. Our work supports treatments for diseases such as TB, malaria, HIV, oncology, metabolic diseases, CNS, and immunology.

M4ALL’s Process Economics & Market Intelligence team is responsible for the development and deployment of techno-economic and market analysis methodologies, products and insights. These capabilities guide commercial and technical decision-making that is fundamental to our mission for improved access to inexpensive life-saving drugs. The Process Economics & Market Intelligence team is home to M4ALL’s growing applied AI/ML and Cheminformatics (CINF) Core. The incumbent for this role will have a significant influence on the development and delivery of M4ALL’s CINF & Data Science portfolio. We are currently seeking integrative candidates to join our team in the position of Cheminformatics & Data Scientist/Senior Cheminformatics & Data Scientist, Process Economics & Market Intelligence to help advance this work.

This role sits at the intersection of cheminformatics, data science, and techno-economic analysis, supporting M4ALL’s mission by developing tools and insights that connect chemical process innovation with cost modeling and pharmaceutical market intelligence.

Primary Responsibilities:

Process Economics and Cost Modeling

• Develop and deliver mass balances and raw material cost estimates for chemical processes of active pharmaceutical ingredient production. Automate the processes by which calculations are made and create user-friendly models and tools that are accessible to Commercial and Technical colleagues.
• Develop and deliver summary assessments of chemical process unit operations and associated cycle times, representing multi-step API syntheses. Automate the process by which these assessments are made and create user-friendly models and tools that are accessible to Commercial and Technical colleagues.
• Leverage data search, retrieval, and modelling to accelerate Process Economics workflows.
• Integrate information from a variety of disciplines, including chemical synthesis and manufacturing, pharma supply chain management, and procurement, as well as sources (technical and commercial) to uncover actionable insights and new intellectual property for M4ALL/VCU.

Market Intelligence and Strategic Insight

• Monitor and analyze pharmaceutical market dynamics and trends (e.g., clinical pipeline, approvals, supply chain, regulatory, policy) and translate findings into operational and strategic insights for M4ALL leadership.
• Facilitate strategic decision-making by leadership teams with timely, current, and relevant data via dashboards, executive summaries, and/or in-depth analyses (e.g., during annual strategy & planning exercises).
• Analyze large and complex datasets and translate it into meaningful business insights. When decision-making datasets do not exist, build them in consultation with key stakeholders.
• Demonstrate high proficiency with data analysis tools and potentially specialized software. Disseminate this expertise by serving as a key resource for the Institute.
• Recommend market research methodologies and lead RFP processes and vendor selection for market research projects in partnership with M4ALL and VCU leadership.
• Collaborate cross-functionally to align intelligence efforts with business objectives and to ensure intelligence drives strategic actions.

Cheminformatics and Data Science Innovation

• Collaborate with commercial and technical stakeholders to uncover, validate, and prioritize areas for innovation in cheminformatics and data science.
• Develop methods and capabilities for archiving and retrieving data on molecular structures, reaction pathways, and molecule supply chain data.
• Promote M4ALL’s cheminformatics and data science advances through publications (patents, peer-reviewed journal articles, technical marketing communications) and public speaking engagements (presentations, panels, poster sessions).
• Train and advise technical and commercial team colleagues about the cheminformatics capabilities available to them.
• Grow M4ALL’s portfolio of CINF- and data science-enabled tools for Process Economics and Market Intelligence workflows.

Qualifications:

Required Education & Experience

• BS/MS in Chemistry, Chemical Engineering, Cheminformatics, or Computer Science with 2+ years’ experience within pharmaceutical, fine chemical, or biotechnology fields.
• Candidates with a combination of relevant education, training, and significant experience in cheminformatics, computational chemistry, or data science applied to chemical research are strongly encouraged to apply.

Required Knowledge, Skill, and Abilities

• Demonstrated understanding of chemical synthesis, process scale-up, and commonly practiced unit operations in pharmaceutical / fine chemical manufacturing.
• Demonstrated understanding of mass balances, cost calculations, unit operations, cycle time and overall integration into reaction pathways.
• Demonstrated competencies in custom database development (e.g., data wrangling: discovery, cleaning, enrichment), drawing from disparate data sources (e.g., commercial supply chain resources and chemical information databases.
• Strong fluency in at least one scientific scripting or programming language (e.g., R or Python) and at least one querying language (e.g., SQL)
• Has the ability to automate chemical pathway to costing tools and develop user friendly models and software interfaces.
• Demonstrated cheminformatics experience in applied AI and machine learning, chemical reaction/library enumeration, clustering, text-mining, dimensionality reduction techniques pertinent to data mining and data visualizations
• Demonstrated ability to work in and foster an environment of respect, professionalism and civility with a population of faculty, staff, and students from all backgrounds and experiences, or a commitment to do so as a staff member at VCU.
• Highly effective verbal and written communication skills, including the ability to interact effectively within and outside of the organization in situations that may require instruction, persuasion, negotiation, or conflict resolution. Demonstrate comfort and confidence delivering technical and/or technical marketing presentations that are clear, concise, and accessible to audiences of varied composition (technical and non-technical).
• Commitment to embodying M4ALL and VCU’s values: Mission-first focus, Integrity, Safety, Respect, Customer-centricity, Adaptability, Transparent Communication, and Collaboration.

Preferred Education and Experience

• PhD in Computational Chemistry or Cheminformatics with 1+ years’ experience within pharmaceutical, fine chemical, or biotechnology fields, OR
• PhD in Organic Chemistry AND an AAS / BS / MS in Cheminformatics or Computational Science with 1+ years’ experience within pharmaceutical, fine chemical, or biotechnology fields.

Preferred Knowledge, Skill, and Abilities

• Candidates with combined experience in laboratory research settings (organic synthesis or chemical development) and cheminformatics / data science are strongly encouraged to apply.
• Working experience in a manufacturing setting within contract research organization (CROs) or contract development & manufacturing organizations (CDMOs) or similar setting or organization will be preferred.
• Proficiency with cheminformatics pipelining tools (e.g., KNIME) and leveraging toolkits, therein (e.g., RDKit, CDK, Erlwood, etc.) and libraries (e.g., TensorFlow, PyTorch, DeepChem).
• Entrepreneurial mindset: You thrive on defining key challenges, innovative solutions, and the commercial benefits of research investments, to grow the Institute and team.
• Skilled at transforming data into engaging, insight-driven stories that influence and inform diverse stakeholders.
• Roll-up-your-sleeves Leadership: You are happy to teach by demonstration, and to individually contribute to achieving project success.

Additional Details:

Salary Range: Up to $125,000, commensurate with experience

Benefits: All full-time university staff are eligible for VCU’s robust benefits package that includes comprehensive health benefits, paid annual and holiday leave granted up front, generous tuition benefits, retirement planning and savings options, tax-deferred annuity and cash match programs, employee discounts, well-being resources, abundant opportunities for career development and advancement, and more.

Title Distinction: This job posting welcomes candidates with diverse levels of experience. We will consider hiring at either the Scientist or Senior Scientist level based on the selected candidate's qualifications and experience. The Senior Scientist will be distinguished by advanced expertise and extensive experience in developing and executing long-term innovation strategies, embracing cutting-edge technologies, and leading complex projects, programs, and teams.

Reporting Structure: This role reports to the Director of Process Economics & Market Intelligence and embodies everyday leadership, with an expectation to lead through actions, discussions, decisions, and interactions. As a role model within the organization, you will influence others by consistently demonstrating the values and behaviors that drive our mission forward.

Work Environment: Upon hire, the workstation will be located at the VA Bio+Tech Park and may occasionally require travel within the greater Richmond area. Since M4ALL's inception in 2017, we have received significant financial support from a diverse portfolio of major donors. This position is grant-funded, with continued employment contingent upon ongoing funding.

FLSA Exemption Status: Exempt

Hours per Week: Minimum of 40 hours/week; Monday - Friday (day shift)

Restricted Position: Yes, continued employment is contingent upon funding

ORP Eligible: Yes

Flexible Work Arrangement: On-site requirement with the ability to transition to a hybrid model once proficient in role

University Job Title: Scientist, Open

Eligible for sponsorship (e.g. H-IB visa status, etc.): No

Contact Information: m4all@vcu.edu