Job Description

Principal Scientist, Computational Chemistry Principal Scientist, Computational Chemistry ODDITY is a consumer tech company that builds and scales digital-first brands to disrupt the offline-dominated beauty and wellness industries. The company serves over 40 million users with its AI-driven online platform, deploying data science to identify consumer needs, and developing solutions in the form of beauty and wellness products. ODDITY owns IL MAKIAGE and SpoiledChild. ODDITY LABS is our cutting-edge biotechnology R&D center, powering science-backed product innovation through the discovery and development of new molecules, probiotics, peptides, and other biological modalities. Unlike pharmaceuticals, ingredient innovation in the beauty and wellness industry has remained stagnant for decades. We are deploying patented, proprietary technologies and capabilities, including AI-based molecule discovery and advanced phenotypic databases, to understand the biological mechanisms that drive cellular behavior and develop uniquely efficacious products for beauty and wellness applications. Innovations from the ODDITY LABS will power game-changing products through ODDITY’s current brands, as well as future brands. ODDITY operates with business headquarters in New York City, an R&D center in Tel Aviv, Israel, and a biotechnology lab in Boston. Our culture is fast-paced, innovative, agile, and offers every team member the opportunity to drive a big impact. We are looking for the ideal candidate We are seeking a strategic and innovative Principal Scientist, Computational Chemist to be a leading figure in silico efforts and drive the integration of computational approaches across our drug discovery pipeline. In this role, you will apply state-of-the-art modeling, data science, and AI/ML tools to support target identification, structure-based drug design, and optimization of novel small molecules. You will collaborate closely with medicinal chemistry, biology, pharmacology, and translational science teams to advance programs from early discovery through IND-enabling stages. You are a scientifically rigorous leader with a deep understanding of molecular modeling, Cheminformatics, and SAR analysis. You excel at generating actionable insights from complex data and translating them into clear design hypotheses. This individual thrives in dynamic, collaborative environments and brings a proactive, hands-on approach to leading multidisciplinary projects in a fast-paced setting. WHAT YOU WILL DO: Design and implement in silico workflows for hit identification, lead optimization, and structure-activity relationship (SAR) modeling. Apply molecular modeling techniques such as docking, pharmacophore modeling, molecular dynamics, and free energy perturbation to inform compound design. Integrate AI/ML tools and Cheminformatics approaches to accelerate hypothesis generation and compound prioritization. Collaborate closely with medicinal chemists and biologists to iteratively refine compound designs based on computational predictions and experimental data. Leverage structural biology and homology models to drive structure-based drug design (SBDD) initiatives. Support target assessment and hit triage using ligand-based and structure-based methods. Evaluate and implement cutting-edge software platforms and external partnerships to stay at the forefront of computational drug discovery. Contribute to project strategy, decision-making, and communication with cross-functional stakeholders and senior leadership. WHO YOU ARE: Ph.D. in computational chemistry or a related field with 6-10 years of industry (pharma/biotech) drug discovery experience. You have a proven track record in leveraging and developing computational tools and computing systems to support small molecule discovery projects for Hit Identification, Hit to Lead, and Lead Optimization. Strong expertise in medicinal chemistry, SAR development, and lead optimization Experience managing high-performing chemistry teams and CROs Familiarity with CMC and regulatory requirements supporting IND-enabling studies Excellent communication, strategic thinking, and leadership skills WHAT WE OFFER Competitive compensation and benefits package. This position is in-office in our Cambridge, Massachusetts office and laboratory. The salary for this position is negotiable and commensurate with experience. Seniority level Seniority level Mid-Senior level Employment type Employment type Full-time Job function Job function Science and Research Referrals increase your chances of interviewing at ODDITY by 2x Inferred from the description for this job Medical insurance Vision insurance 401(k) Paid maternity leave Paid paternity leave Get notified about new Chemist jobs in Boston, MA . Waltham, MA $135,000.00-$189,000.00 1 week ago Woburn, MA $130,000.00-$190,000.00 1 week ago Research Investigator Analytical Development Boston, MA $99,500.00-$156,420.00 2 weeks ago Principal Scientist , Analytical Science Lead Chemistry Expert - AI Trainer (Ph.Ds or Postdocs) Assoc Scientist - Organic Chemistry - HTE Senior Scientist, Analytical Development We’re unlocking community knowledge in a new way. Experts add insights directly into each article, started with the help of AI. #J-18808-Ljbffr

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