News
July 14, 2026
Inductive Bio Wins 3rd Consecutive AI Drug Discovery Benchmark
NEW YORK, July 14, 2026 — Inductive Bio, an AI drug discovery partner developing virtual chemistry labs, placed first in OpenADMET's PXR Blind Challenge, beating more than 350 researchers across large pharma, biotech, academic, and AI organizations. Inductive’s third consecutive win in the industry's leading AI small molecule competitions, with top honors in the ASAP-Polaris-OpenADMET Antiviral Challenge and ExpansionRx-OpenADMET blind challenge, establishes a track record unmatched by any other AI drug discovery company.
The PXR Blind Challenge tasked participants with predicting activation of pregnane X receptor (PXR), a protein that detects foreign compounds and triggers the body to metabolize and flush them out. PXR induction is a common liability that often goes undetected until mid- to late-stage
lead optimization, often years after initiating discovery efforts. The blind challenge format, in which participants predict properties of previously unseen compounds, offers a rare opportunity to benchmark ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) modeling under real-world conditions.
“PXR induction is one of those problems that kills programs late, after teams have already devoted significant resources to a compound series," said Ben Birnbaum, Inductive's Co-Founder and CTO. “Predicting it means picking up on subtle signals in chemical structure. This first-place finish tells us that our Beacon models are catching those signals, showing how far these models can go on the toughest drug discovery problems.”
Across the three blind challenges, there were over 750 competitors who made nearly 10,000 submissions across a total of 17 critical assay endpoints for drug discovery. Inductive placed first in all three challenges, even against entrants from companies many times its size, including Merck (with NVIDIA), Novo Nordisk, EMD Serono, and more.
Inductive’s work on PXR is part of a broader drug safety focus for the company, which was selected to lead an up to $21M ARPA-H CATALYST award, with Amgen and academic partners, to build AI models of drug-induced liver injury and cardiotoxicity - two of the largest drivers of clinical drug safety failures.
“We built Inductive to give every drug hunter a virtual chemistry lab, so teams can predict how a molecule will behave before spending months testing it in a wet lab and focus their effort on only the highest-quality ideas," said Josh Haimson, Inductive's co-founder and CEO. "Three consecutive wins in independent blind challenges against teams 1000x our size tell us that the Beacon models powering that lab are the state of the art for AI drug discovery tasks like ADMET prediction.”
The Beacon models are trained on one of the industry’s largest and most diverse datasets, drawn from Inductive’s pre-competitive data consortium, and fine-tuned to each partner’s chemical space. Inductive’s virtual lab currently powers the discovery programs of dozens of biopharma partners and has delivered multiple development candidates in significantly shorter timelines than the industry standard.
About Inductive Bio
Inductive builds virtual chemistry labs that help drug hunters design higher quality molecules, faster. Inductive's virtual labs are designed to scale proven scientific best practices across medicinal chemistry, computational chemistry, DMPK, and safety, enabling teams to make higher-quality decisions consistently throughout discovery. Inside these virtual labs, AI chemistry assistants work with predictive ADMET and PK models to help scientists evaluate more hypotheses in silico and surface key risks earlier. The most promising molecules move from the virtual lab to the wet lab in a tight feedback loop that accelerates the advancement of high-quality molecules. For more information, please visit www.inductive.bio.
Media Contact
media@inductive.bio
- QC analytical reports (1H/13C/19F/2D NMR, chiral SFC)
- Propose, visualize, and triage forward and retrosyntheses
- Monitor the synthesis queue and flag stalled targets
- QC assay data as it lands and flag suspicious results
- Prioritize repeats and nominate compounds for downstream assays
- Analyze SAR and identify data gaps
- Evaluate IVIVC and suggest diagnostic experiments
- Design, enumerate, and triage analogs
- Launch and analyze physics-based workflows like docking and FEP
- Project human PK and efficacious dose
- Answer questions about a program’s history (what was learned and when)
- Track team progress against the target candidate profile
- Get new scientists up to speed on a program
- Make meeting-ready slides and figures
Prompt: I’m attaching two files with activity data, one with new data from today and one with historical data. Can you look through the new data and identify any QC issues that I should be aware of? Create a csv where every compound + assay run pair is labeled with any relevant issues.
Prompt: Do a nitrogen walk around the core of this molecule: O=C(NCC1=CC=C(C)C(F)=C1)C2=CC=C3C=C(N4[C@H](C)CCCC4)C=CN32
Prompt: Do an OH walk around this whole molecule: O=C(NCC1=CC=C(C)C(F)=C1)C2=CC=C3C=C(N4[C@H](C)CCCC4)C=CN32
Prompt: Replace the core of this molecule with this set of 5,6-ring systems (file attached): O=C(NCC1=CC=C(C)C(F)=C1)C2=CC=C3C=C(N4[C@H](C)CCCC4)C=CN32
[Related posts]
September 14, 2026
News
Inductive Bio launches Indy, an AI chemistry assistant, to double the capacity of every medicinal chemist
Indy is the world’s first medicinal chemistry agent. Indy outperforms Claude Opus 5 and GPT-5.6 Sol in head-to-head benchmarks that include QC’ing new assay data, analyzing SAR, and the design/triage of analogs.
June 30, 2026
News
Inductive Bio joins Anthropic’s Connector Ecosystem for Life Sciences, Surfacing State-of-the-Art ADMET Prediction to Drug Discovery Scientists through Claude
Inductive’s global ADMET prediction models are now available as a connector for Claude, enabling any drug discovery scientist working with Claude to access state-of-the-art predictive models directly in their existing workflow.
May 26, 2026
News
Ginkgo Datapoints, Tangible Scientific, and Inductive Bio Launch ADME-One™: a High-Throughput ADME Platform That Brings Pharmacokinetic Projection Earlier in Drug Discovery
New co-developed product delivers a complete Tier 1 ADME panel coupled with best-in-class AI-driven human pharmacokinetic (PK) projection and integrated compound management —enabling scientists to make lead-optimization-quality decisions starting in hit identification
December 8, 2025
News
Inductive Bio Announces an up to $21M Award to Develop AI Drug Toxicity Models that Improve Drug Safety Assessment with Leading Academic and Biopharmaceutical Organizations
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
August 20, 2025
News
Ginkgo Datapoints, Tangible Scientific, and Inductive Bio Partner to Deploy AI-driven Lab-in-the-loop Workflows Across the Biopharma Industry
This new partnership will streamline drug discovery with AI, faster ADME profiling, and automated compound management, helping scientists design better treatments with fewer resources.
May 8, 2025
News
Inductive Bio Raises $25M Series A to Transform Small Molecule Drug Discovery with Industry-Wide AI Platform
Funding will accelerate company’s work to democratize state-of-the-art AI models trained on a pre-competitive dataset to speed the successful development of life-saving therapies
March 14, 2025
News
Inductive Bio to Present at ACS Spring 2025 on the Future of AI in Drug Discovery
The rapid rise of AI in drug discovery brings both unprecedented opportunities and complex challenges. From accelerating the development of better therapies to navigating the proliferation of tools and technologies, the path forward requires clarity, precision, and innovation. For small biotech companies, this moment also raises a critical question: how can we stay competitive with limited resources?
September 29, 2024
News
Inductive Bio Announces Publication of Successful Drug Optimization Collaboration with Nested Therapeutics
Inductive Bio, a leader in leveraging machine learning (ML) to accelerate compound optimization for small molecule drug discovery, announces the publication of the approach and findings from their recent collaboration with Nested Therapeutics, a biotechnology company pioneering a next-generation precision medicine platform to address hard-to-treat cancers.
August 9, 2024
News
Inductive Bio to Host Panel on AI and ML in Drug Discovery at ACS Fall 2024
As artificial intelligence and machine learning continue to reshape the landscape of drug discovery, this panel will tackle one of the field’s most pressing questions: how do we separate real innovation from overpromised potential?
December 13, 2023
News
Inductive Bio Emerges from Stealth, Unveiling an ML Platform to Accelerate Compound Optimization in Drug Discovery
Inductive Bio emerged with $4.3M in a seed funding round co-led by a16z Bio + Health and Lux Capital, with participation from Character, Bessemer Venture Partners, Alleycorp, and others. Inductive's team has deep expertise building innovative ML products and bringing drugs into the clinic.