AI models can easily generate tons of potential molecules on a computer screen. But that leads to the problem of deciding which to synthesize in the real world.
Terray Therapeutics has developed an AI method that outperformed its own team of expert chemists in making those selections.
The Pasadena, CA-based startup has built a selection model, sharing details Monday via a preprint article and corporate blog. Terray is doing so as a part of the debut of its broader AI platform called EMMI, short for “experimentation meets machine intelligence,” CEO Jacob Berlin told
Endpoints News
.
Monday’s disclosure is Terray’s most substantive update of 2025, after a newsy 2024 that included
raising a $120 million Series B round
and signing research deals with
Gilead
and
Odyssey Therapeutics
. Terray’s AI-driven selection method gives a look into how it has focused on building models beyond the popular areas of predicting molecular structures and generating new molecules.
Terray’s selection model builds on top of an epistemic neural network architecture, or a type of AI model effectively designed to manage uncertainty that was
first introduced by a Google DeepMind team
in 2021.
In one retrospective experiment detailed in the preprint, Terray tried three approaches in finding the most potent binders to EGFR, a popular drug target, among roughly 50,000 compounds. One mainly relied on human chemists picking which molecules to make for up to 30 rounds of lab testing. A second approach was Terray’s previous standard, using computational methods that made clusters for different chemical structures, ensuring a basket with a range of different-looking molecules. The third was its latest selection model.
Terray’s selection model outperformed the two other options, Berlin said, getting to a desired outcome that was about two-thirds faster and cheaper.
That has impacted how Terray runs its labs, he added. A single cycle of synthesizing and testing molecules in the lab typically takes one or two weeks. The selection model was about 20 cycles faster than the other methods, meaning it could save anywhere from six months to up to a year on a drug campaign.
“The only thing that matters in this industry is real winners — the molecules you’re actually going to put in the clinic,” Berlin said. “By saving 50-plus percent on your synthesis and your testing time, you can get to better answers.”
Terray is open-sourcing the selection model, Berlin said.
“As this gets out in the world, probably everyone will run some variant of this over the coming years,” he said. “We’ll just happen to be the first.”
That outperformance challenges a status quo of biotech labs, where chemists have long relied on their expertise and intuition in deciding which molecules are best to make and test.
Even when using computational methods, Berlin said his understanding is that oftentimes final choices are still made by human experts, who may factor in a model’s suggestions. The selection model suggests that the right AI model could be superior in balancing the countless factors and uncertainties behind human decisions.
Terray will share updates to a range of its other AI models as well. That notably includes TerraBind, a model predicting binding potency, which it first developed in 2023 but has never publicly discussed. Berlin said it is faster and cheaper than Boltz-2, a popular open-source model for potency predictions
developed by an MIT team earlier this year
.
“We never told anybody about our TerraBind predictive potency model for two whole years, until Boltz told the world about something that’s not as good as ours,” Berlin said.
Terray has not publicly shared performance data in comparing TerraBind to Boltz-2. Berlin said Terray would probably publish on the next iteration of TerraBind in 2026.
That progression also tracks the 130-employee biotech’s focus on applying AI models to actual drug programs. Terray was founded in 2018 by Berlin, who left a tenured professorship at City of Hope to advance his research on a nickel-sized microarray chip that can measure binding activity for millions of molecules. The EMMI platform stitches together a range of AI research that builds off the massive experimental data trove coming off those chips.
Terray’s lead asset is a brain-penetrant inhibitor for multiple sclerosis that is nearing selection of a development candidate. Berlin said it could enter the clinic in late 2026 or in 2027. Berlin said the AI bio field is starting to move beyond a focus on besting metrics in papers to helpful results in the real lab.
“Outperforming on a benchmark is a nice validation that you’re on the right path and have built something that is impactful,” Berlin said. “Seeing it change your ROI and your speed of execution and your actual pipeline is the next step. The ultimate realization has to be molecules that change human health and provide value.”