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Machine Learning Chemistry Jobs in New York (NOW HIRING)

Inductive Bio

Medicinal Chemist

New York, NY · On-site

$210K - $250K/yr

Alongside outstanding compchem, DMPK, and machine learning colleagues, bring Inductive's tools and ... chemistry and assay CRO partners to answer hypotheses effectively. * Build an AI-native drug ...

Genesis Therapeutics

Product Management Lead

Manhattan, NY · On-site

$120 - $190/hr

Our work spans machine learning, computational chemistry, biology, and wet lab experimentation , all operating within a high-trust, deeply technical environment. You'll join a team with extremely ...

New York University

POSTDOCTORAL ASSOCIATE

New York, NY · On-site

$65K/yr

The successful candidate will have a demonstrated background in machine learning, physical chemistry, and thermodynamics as exemplified by a strong publication record. Previous experience in agentic ...

PDI (NY)

Senior R&D Data Scientist

Woodcliff Lake, NJ

... machine learning capabilities across the R&D lifecycle. WHY YOU'LL LOVE THIS ROLE * Opportunity to ... Chemistry or Chemical Engineering * Computational Chemistry/Physics * Bioinformatics Required ...

PDI

Senior R&D Data Scientist

Woodcliff Lake, NJ · On-site

... machine learning capabilities across the R&D lifecycle. WHY YOU'LL LOVE THIS ROLE * Opportunity to ... Chemistry or Chemical Engineering * Computational Chemistry/Physics * Bioinformatics Required ...

Uncountable

ML Solution Consultant

New York, NY · On-site

$110K - $130K/yr

The Role Machine learning is only as powerful as the people who can apply it in context - and in ... D. in a quantitative field such as Chemistry, Materials Science, Chemical Engineering, Physics ...

micro1 AI

AI Trainer - Microbiology Expert

Paterson, NJ · Remote

$70 - $90/hr

Bachelor's degree or higher in Biology, Microbiology, Chemistry, or a related field. * Extensive ... Experience with AI, machine learning, or annotation projects related to biology or microbiology.

micro1 AI

AI Trainer - Microbiology Expert

Yonkers, NY · Remote

$70 - $90/hr

Bachelor's degree or higher in Biology, Microbiology, Chemistry, or a related field. * Extensive ... Experience with AI, machine learning, or annotation projects related to biology or microbiology.

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Machine Learning Chemistry information

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How much do machine learning chemistry jobs pay per hour?

As of Aug 22, 2026, the average hourly pay for machine learning chemistry in New York is $24.35, according to ZipRecruiter salary data. Most workers in this role earn between $20.00 and $26.83 per hour, depending on experience, location, and employer.

What is a machine learning chemistry?

A Machine Learning Chemistry job involves using artificial intelligence techniques to analyze chemical data, model molecular behaviors, and accelerate discoveries in chemistry-related fields. Professionals in this role develop and apply machine learning algorithms to predict chemical properties, optimize reactions, and assist in drug design, material science, and other applications. They typically work in pharmaceuticals, materials science, or environmental chemistry, collaborating with chemists, data scientists, and engineers to solve complex chemical problems efficiently.

What does a machine learning chemistry do?

Professionals in Machine Learning Chemistry often work on projects such as developing predictive models for chemical property analysis, optimizing molecular structures, or advancing drug discovery through data-driven methods. Daily tasks may include data preprocessing, building and training machine learning models, validating results, and interpreting outcomes in collaboration with experimental chemists. Teamwork is common, with regular interactions between chemistry researchers, data scientists, and software engineers. This structure allows for iterative feedback and ensures that computational models align with practical lab needs. Continuous learning and adaptation are also key, as both the chemistry and machine learning fields are rapidly evolving.

What are the key skills and qualifications needed to thrive in machine learning chemistry?

To thrive in a Machine Learning Chemistry role, you need a solid background in chemistry, expertise in data science and machine learning algorithms, and typically an advanced degree in chemistry, computer science, or a related field. Familiarity with programming languages like Python or R and experience working with cheminformatics tools and machine learning frameworks (such as TensorFlow or scikit-learn) are essential. Strong analytical thinking, problem-solving abilities, and effective communication skills enable professionals to bridge the gap between computational work and experimental research teams. These competencies are crucial for developing innovative solutions in chemical research and ensuring successful collaboration across interdisciplinary teams.

What are the most commonly searched types of Machine Learning Chemistry jobs in New York?

The most popular types of Machine Learning Chemistry jobs in New York are:

What are popular job titles related to Machine Learning Chemistry jobs in New York?

For Machine Learning Chemistry jobs in New York, the most frequently searched job titles are:

What job categories do people searching Machine Learning Chemistry jobs in New York look for?

The top searched job categories for Machine Learning Chemistry jobs in New York are:

Machine Learning Chemistry jobs near you
Infographic showing various Machine Learning Chemistry job openings in New York as of August 2026, with employment types broken down into 4% Internship, 72% Full Time, 20% Part Time, and 4% Nights. Highlights an 100% In-person job distribution, with an average salary of $50,645 per year, or $24.3 per hour.

Medicinal Chemist

Inductive Bio

New York, NY • On-site

$210K - $250K/yr

Full-time

Medical, Dental, Vision

Re-posted 2 days ago

Job description

Inductive Bio is an AI medicinal chemistry partner.We build virtual labs that help drug discovery teams make better decisions, faster, across the full DMTA cycle. Our platform includes Beacon-1 ADMET prediction models, human dose projection tools, and Indy, an AI medicinal chemistry assistant. Through partnerships with CROs, we also offer innovative synthesis approaches, direct-to-dose testing, and cost-effective tier 1 ADME panels that enable initial human PK projection, closing the loop from computational design to experimental validation. Together, these power dozens of small molecule and beyond-rule-of-five programs for biotech and pharma partners.
Beacon-1 placed 1st in both the 2025 Polaris and 2026 OpenADMET-ExpansionRx blind competitions, ahead of Merck & Co + NVIDIA and EMD Serono.
We've raised $30M from Obvious Ventures, a16z Bio + Health, and Lux Capital, and were selected for a $21M ARPA-H CATALYST award to develop next-generation toxicity models.
We are seeking an accomplished Medicinal Chemist to play a key role in building an AI-forward drug discovery platform that impacts all stages of the Design-Make-Test-Analyze cycle, and deploy that platform to dozens of programs across the industry! This role will report directly to our Head of Medicinal Chemistry.
What you'll do:
  • Be an embedded expert, supporting a variety of partner drug discovery programs from lead generation through development candidate nomination across diverse small molecule modalities.
  • Alongside outstanding compchem, DMPK, and machine learning colleagues, bring Inductive's tools and your medchem knowledge to our work as consultants on partners' projects.
  • Help deliver value to partners through Inductive's experimental offerings, where we combine our drug discovery experience, predictive models, and AI workflows with our chemistry and assay CRO partners to answer hypotheses effectively.
  • Build an AI-native drug discovery platform that will speed drugs to the clinic. Help make your ideas about how to improve the DMTA cycle a reality, as we flesh out Indy (our AI medicinal chemistry agent) and build assay and synthesis workflows that get to high-quality answers more quickly.
  • Represent Inductive's mission and build connections in the field, meeting with current and potential partners, gathering feedback about what drug discovery teams need, attending conferences and meetings, giving presentations, and authoring blog posts and publications.

Who you are:
  • An ideal candidate is a creative and accomplished medicinal chemist with a synthetic organic chemistry background who has played a meaningful role in advancing compounds to the development candidate stage. You are excited about working with partners to progress their programs, and you want to build the next generation of tools for drug discovery!
  • You have direct experience at all stages of drug discovery projects, and can point to go/no go judgement calls you've made in lead generation and lead optimization.
  • You've used different approaches to evaluate compound quality, from LLE to dose prediction, and appreciate the importance of contextualizing results in terms of their expected profile in humans.
  • The more modalities you've worked with, the better, from reversible and covalent to heterobifunctionals and peptides.
  • Along with designing compounds and analyzing data, you have years of experience in chemical synthesis with CROs. As you think about synthetic strategy, you look for convergent routes and late-stage intermediates.
  • You communicate effectively and proactively, seek feedback, handle proprietary information with discretion, embrace transparency, and treat others with respect.
  • Experience with predictive models and automation is a plus! (e.g. FEP, predictive ADME, AI retrosynthesis, direct to biology)

Working at Inductive
At Inductive Bio, we know that the people on the team are what make us great. We offer competitive salary and equity-based compensation; comprehensive healthcare benefits (including dental and vision); and the opportunity to grow along with a rapidly scaling company. We are a passionate, kind, and mature team. Working at a fast-growing startup is not always a 9-5 job, but we believe that our employees should have full lives beyond their career.

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