Full-Time

Member of Technical Staff

Computational Chemistry

Inductive Bio

Inductive Bio

11-50 employees

ML-driven software for small molecule ADMET

Compensation Overview

$180k - $230k/yr

+ Equity-based compensation

Remote in USA + 3 more

More locations: Boston, MA, USA | San Francisco, CA, USA | New York, NY, USA

Hybrid

Remote-friendly within the United States; external meetings frequently occur during Eastern Time business hours.

Bachelor's

Category
Software Engineering (1)
Required Skills
Python
Machine Learning
Medicinal Chemistry
Product Design

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Requirements
  • At least 5 years of experience on drug discovery project teams across multiple stages, from hit identification through lead optimization.
  • Broad technical range across cheminformatics, structure- and physics-based modeling including docking, quantum mechanics, and free-energy perturbation, machine learning, and DMPK.
  • Deep scientific training in a relevant field.
  • Proficiency writing Python and ability to learn new tools.
  • Ability to lead cross-functional discussions and communicate complex analyses visually to technical and non-technical audiences.
Responsibilities
  • Co-own the scientific relationship with partner project teams alongside an Inductive medicinal chemist across reversible and covalent small molecules, macrocycles, molecular glues, and heterobifunctionals.
  • Drive modeling strategy, including selecting critical assays, determining modeling approaches, and using predictions to advance programs.
  • Rationalize structure–activity relationship data, identify its limitations, and flag inconsistencies before they lead to poor decisions.
  • Guide medicinal chemistry strategy, including compound design, testing, advancement triage, synthetic resource allocation, early liability identification, and de-risking plans.
  • Model in vivo outcomes end to end, including pharmacokinetic/pharmacodynamic and efficacy relationships and projected human dose, to evaluate compounds through a dose-centric lens and assess property tradeoffs within the therapeutic window.
  • Represent Inductive's scientific capabilities in partner meetings and publications.
  • Prototype scientific analyses and modeling experiments in code.
  • Build reusable analyses, tools, and workflows for internal use, partner delivery, and Indy, and automate repeated work.
  • Evaluate computational methods on benchmark datasets and determine which methods to adopt.
  • Investigate model performance issues and work with the machine learning team to improve models.
  • Stay current with scientific literature and identify emerging techniques to test on real data.
  • Set scientific direction for the platform by defining needed capabilities and their rationale based on past experience and partner programs.
  • Participate in product design meetings and own the user perspective on tool effectiveness.
  • Write feature requirements, prioritize the roadmap with product and engineering, and assess whether shipped features solve the intended problem.
  • Help grow the Computational Chemistry team as the company scales.
Desired Qualifications
  • Experience taking a program through development candidate nomination or investigational new drug-enabling studies.
  • Hands-on medicinal chemistry experience.
  • Experience with artificial intelligence coding agents.

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

San Francisco, California

Founded

2021

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Simplify Jobs

Simplify's Take

What believers are saying

  • Dozens of biopharma partners used its virtual lab by July 14, 2026.
  • May 7, 2025 Series A raised $25M from Obvious, a16z, Lux, and S32.
  • DATAMAP's up to $21M award funds FDA-facing toxicity models through 2026.

What critics are saying

  • ADME platforms face commoditization as Ginkgo, Tangible, and Anthropic bundle adjacent workflows.
  • Inductive still depends on partner data and co-developed products, limiting pricing power.
  • If benchmark leadership slips, pharma clients can switch to competing ADMET vendors quickly.

What makes Inductive Bio unique

  • Compass won 2026 OpenADMET and 2025 Polaris blind prediction challenges.
  • ADME-One, launched May 26, 2026, bundles assays, PK projection, and compound management.
  • June 30, 2026 Claude MCP connector embeds Inductive models directly into scientist workflows.

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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

-2%

2 year growth

-7%
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.

AlleyWatch
May 16th, 2025
Inductive Bio Raises $25M for AI Drug Discovery

Inductive Bio has secured $25M in Series A funding led by Obvious Ventures, with participation from a16z Bio + Health, Lux Capital, and others. The company aims to transform drug discovery with its collaborative AI platform, which accelerates compound optimization by predicting molecular behavior before lab synthesis. This approach reduces costs and speeds up drug development. Inductive Bio's platform has shown success in the Polaris ADMET competition and plans to expand its team and platform reach.

FinSMEs
May 7th, 2025
Inductive Bio Raises $25M in Series A Funding

Inductive Bio raises $25M in Series A funding.