Cheminformatics Principal Research Scientist

Vertex Pharmaceuticals Incorporated
paid time off, 401(k)
United States, Massachusetts, Boston
50 Northern Avenue (Show on map)
Apr 08, 2025
Job Description General Summary: We are seeking a motivated, creative, and experienced cheminformatics scientist to join the Data & Computational Sciences (DCS) team at the Boston, MA site of Vertex Pharmaceuticals. As an integral member of our Chemical Data Science team, the candidate will bring an in-depth knowledge of cheminformatics, and work on developing core cheminformatics capabilities, applying cheminformatics tools and techniques in our disease programs and act as a resource for colleagues. The role will focus on supporting lipid nanoparticle (LNP) informatics and reaction informatics, in addition to developing new cheminformatic methods across the Design-Make-Test-Analyse cycle.The candidate will collaborate closely with colleagues across DCS and experimental scientists across Vertex to drive our research programs forward and with our colleagues in Data Technology Engineering (DTE) to deploy relevant methods in production. Key Duties and Responsibilities: Design, develop, apply and maintain computational methods to address LNP design and optimization questions Enhance and maintain our reaction informatics capabilities including high throughput screening library design, reaction conditions prediction and optimisation Actively contribute to the development of our core cheminformatics tools and libraries Develop and apply cheminformatics techniques to improve hit identification and optimisation processes Contribute to small molecule predictive modelling activities across programs Identify, evaluate and, when relevant, adopt new cheminformatics and AI/ML technology and software from various sources Education and Experience: Ph.D. (or equivalent degree) in engineering, science or math and 4-7 years of productive, relevant post-doctoral employment experience, or Master's Degree (or equivalent degree) in similar fields and 7+ years of productive, relevant employment experience, or Bachelor's Degree (or equivalent degree) in similar fields and 10+ years of productive, relevant employment experience Expert knowledge in cheminformatics including clustering, chemical fingerprints, SMARTS, chemical reactions, etc. Very strong programming skills, ideally in Python, with demonstrated 3+ years of experience and/or active contributions to open-source projects Proficiency with at least one cheminformatics framework (OEToolkit and/or RDKit preferred) Experience with relational databases and SQL Proficiency in Linux environment and experience with version control practices and tools Extensive experience in the use of machine learning methods and toolkits (such as scikit-learn) as applied to chemical or biological data Excellent oral and written communication skills A team-oriented growth mindset that welcomes feedback from others and supports other team members; a positive attitude that enthusiastically tackles and overcomes challenges Pay Range: $141,400 - $212,100 Disclosure Statement: The range provided is based on what we believe is a reasonable estimate for the base salary pay range for this job at the time of posting. This role is eligible for an annual bonus and annual equity awards. Some roles may also be eligible for overtime pay, in accordance with federal and state requirements. Actual base salary pay will be based on a number of factors, including skills, competencies, experience, and other job-related factors permitted by law. At Vertex, our Total Rewards offerings also include inclusive market-leading benefits to meet our employees wherever they are in their career, financial, family and wellbeing journey while providing flexibility and resources to support their growth and aspirations. From medical, dental and vision benefits to generous paid time off (including a week-long company shutdown in the Summer and the Winter), educational assistance programs including student loan repayment, a generous commuting subsidy, matching charitable donations, 401(k) and so much more. Flex Designation: Hybrid-Eligible Or On-Site Eligible Flex Eligibility Status: In this Hybrid-Eligible role, you can choose to be designated as: 1. Hybrid: work remotely up to two days per week; or select 2. On-Site: work five days per week on-site with ad hoc flexibility. Note: The Flex status for this position is subject to Vertex's Policy on Flex @ Vertex Program and may be changed at any time. Company Information Vertex is a global biotechnology company that invests in scientific innovation. Vertex is committed to equal employment opportunity and non-discrimination for all employees and qualified applicants without regard to a person's race, color, sex, gender identity or expression, age, religion, national origin, ancestry, ethnicity, disability, veteran status, genetic information, sexual orientation, marital status, or any characteristic protected under applicable law. Vertex is an E-Verify Employer in the United States. Vertex will make reasonable accommodations for qualified individuals with known disabilities, in accordance with applicable law. Any applicant requiring an accommodation in connection with the hiring process and/or to perform the essential functions of the position for which the applicant has applied should make a request to the recruiter or hiring manager, or contact Talent Acquisition at ApplicationAssistance@vrtx.com