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Inductive Bio

Inductive Bio

ML-driven software for small molecule ADMET

Medicinal Chemist

Full-Time
$210k - $250k/yr

+ Equity-based compensation

Mid
Boston, MA, USA+3 more

More locations: San Francisco, CA, USA | New York, NY, USA | United States

Hybrid

Hybrid work is required; the role is listed in New York City, San Francisco, or Boston.

About the job

Requirements
  • A synthetic organic chemistry background and meaningful experience advancing compounds to the development candidate stage.
  • Direct experience across all stages of drug discovery projects, including making go/no-go decisions in lead generation and lead optimization.
  • Experience evaluating compound quality using approaches such as ligand lipophilicity efficiency and dose prediction, with the ability to contextualize results against expected human profiles.
  • Experience working across diverse modalities, including reversible and covalent compounds, heterobifunctionals, and peptides.
  • Years of experience in chemical synthesis with contract research organizations, including developing convergent routes and late-stage intermediates.
  • Ability to communicate effectively and proactively, seek feedback, handle proprietary information with discretion, embrace transparency, and treat others with respect.
Responsibilities
  • Support partner drug discovery programs from lead generation through development candidate nomination across diverse small-molecule modalities.
  • Collaborate with computational chemistry, drug metabolism and pharmacokinetics, and machine learning colleagues to apply company tools and medicinal chemistry expertise to partner projects.
  • Deliver value through experimental offerings that combine drug discovery experience, predictive models, artificial intelligence workflows, chemistry, and assay contract research organization capabilities.
  • Help build an artificial-intelligence-native drug discovery platform, improve the Design-Make-Test-Analyze cycle, develop the Indy medicinal chemistry agent, and build assay and synthesis workflows.
  • Represent the company’s mission by meeting current and potential partners, gathering feedback, attending conferences and meetings, giving presentations, and authoring blog posts and publications.
Desired Qualifications
  • Experience with predictive models and automation, such as free-energy perturbation, predictive absorption/distribution/metabolism/excretion, artificial intelligence retrosynthesis, and direct-to-biology workflows.

About the company

Inductive Bio uses machine learning on a proprietary, curated dataset to help pharmaceutical, biotech, and research teams design small molecule drugs. Its platform provides real-time ADMET predictions and data-driven insights to guide drug design throughout development. The system stands out by pairing a thoroughly curated ADMET dataset with ML models in a user-friendly platform that supports entire teams, not just data scientists. The goal is to accelerate the discovery and optimization of safe, effective small molecule drugs by delivering practical, data-driven guidance during development.

Company Size

11-50

Company Stage

Series A

Total Funding

$29.3M

Headquarters

New York City, New York

Founded

2021

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Simplify's Take

What believers are saying

  • Inductive raised $25 million in May 2025 from Obvious, a16z, and Lux.
  • ARPA-H awarded up to $21 million on December 8, 2025 for DATAMAP.
  • Anthropic connector, ADME-One, and live programs broaden distribution across biopharma in 2026.

What critics are saying

  • OpenAI, Anthropic, and Benchling can bundle adjacent chemistry workflows, commoditizing Inductive's interface.
  • ARPA-H and partner-funded science can stall after December 2025 if validation misses regulatory expectations.
  • One benchmark failure or toxicology miss would crater trust across 100+ programs and kill deals.

What makes Inductive Bio unique

  • Beacon-2 predicts human dose from structure; launched September 17, 2026.
  • Indy, launched September 14, 2026, automates medicinal chemistry workflows end-to-end.
  • Inductive won three consecutive OpenADMET challenges across 2025-2026, including ExpansionRx and PXR.

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Benefits

Health Insurance

Dental Insurance

Vision Insurance

Commuter Benefits

Phone/Internet Stipend

Home Office Stipend

Flexible Work Hours

Remote Work Options

Paid Vacation

Paid Sick Leave

Paid Holidays

Unlimited Paid Time Off

401(k) Retirement Plan

401(k) Company Match

Company Equity

Stock Options

Wellness Program

Mental Health Support

Professional Development Budget

Conference Attendance Budget

Tuition Reimbursement

Professional Certification Support

Training Programs

Pet Insurance

Adoption Assistance

Family Planning Benefits

Fertility Treatment Support

Parental Leave

Relocation Assistance

Employee Discounts

Meal Benefits

Gym Membership

Growth & Insights and Company News

Headcount

6 month growth

-2%

1 year growth

-11%

2 year growth

-11%
PR Newswire
Sep 17th, 2026
Inductive's Beacon-2 predicts human drug dose from chemical structure, improving design 17x in trials

Inductive has launched Beacon-2, a system that predicts the efficacious human dose of a small molecule directly from its chemical structure. The tool enables chemists to estimate which compounds will have the best human dose before laboratory synthesis. Beacon-2 predicts absorption, distribution, metabolism, excretion, and toxicity properties, then combines them through mechanistic pharmacokinetic models. Its underlying ADMET models have won three consecutive OpenADMET blind challenges, beating more than 750 competitors from leading AI and pharmaceutical companies. In testing, Inductive's medicinal chemistry agent used Beacon-2 to improve predicted human dose by 17 times over five autonomous design cycles on a SARS-CoV-2 compound. The system is available to partners through Compass and is already running on live drug discovery programmes. Inductive's models support over 100 discovery programmes with leading biopharma partners.

PR Newswire
Sep 14th, 2026
Inductive Bio launches Indy, AI chemistry assistant that doubles medicinal chemist productivity

Inductive Bio has launched Indy, an AI chemistry assistant designed to enhance medicinal chemists' productivity. The company claims Indy has doubled its team's efficiency in partner programmes. Indy performs tasks including quality-checking assay data, analysing structure-activity relationships, and designing molecule analogues. In a published comparison, Indy achieved 89% accuracy on 84 dose-response curves from real programmes, outperforming Claude Opus 5 (48%) and GPT-5.6 Sol (39%). The AI assistant handles routine tasks such as parsing contract research organisation reports, quality-controlling dose-response curves, running generative chemistry algorithms, and creating project update presentations. This allows scientists more time for high-impact work. "Indy surfaces patterns in the data that help us make better decisions," said Nicholas Perl, head of chemistry at Anvia Therapeutics. The tool is now available to Inductive Bio's partners.

Associated Press
Jun 30th, 2026
Inductive Bio integrates ADMET prediction models with Anthropic's Claude for drug discovery

Inductive Bio has joined Anthropic's life sciences ecosystem, launching a Model Context Protocol connector that integrates its ADMET prediction models directly into Claude. The integration allows drug discovery scientists to access state-of-the-art predictions for Absorption, Distribution, Metabolism, Excretion and Toxicity properties through natural language queries within Claude's interface. ADMET prediction addresses a major bottleneck in small molecule drug discovery. Inductive Bio's models placed first among over 370 entries from pharmaceutical and AI companies in the OpenADMET-ExpansionRx blind challenge. The connector enables scientists to explore chemical structures and reason about predictions whilst maintaining data protection—submitted structures are not retained or used for model training. Inductive Bio currently powers dozens of active discovery programmes with biopharma partners.

Inductive Bio
Dec 9th, 2025
Inductive Bio Announces an up to $21M Award to Develop AI Drug Toxicity Models

Team to develop and validate computational models trained on data from organoids and advanced human model systems that will improve drug safety and reduce reliance on animal testing

Third News
Dec 8th, 2025
Inductive Bio secures $21M to develop AI drug toxicity models reducing animal testing

Inductive Bio has secured up to $21 million in funding to develop AI-driven drug toxicity models that could transform safety assessments in drug discovery. The initiative, called DATAMAP, involves collaboration with Amgen, Cincinnati Children's Hospital Medical Center, Baylor College of Medicine and Torch Bio. The project aims to reduce reliance on animal testing by using human-derived data from organoid systems to predict drug safety more accurately. Currently, nearly 90% of clinical-stage drug candidates fail to reach market, with 25% failing due to unforeseen safety issues. The initial phase will focus on drug-induced liver injury and cardiotoxicity, which account for over 40% of drug withdrawals. Inductive Bio will work with the FDA to validate these AI models for regulatory approval, aligning with the agency's push to modernise drug development methodologies.