WHAT CHEMAI DOES
Most high-value drugs are
made by a handful of known routes –
often costly, un-optimized, or unsustainable.
We use AI to discover new ones.
ChemAI applies machine intelligence to synthetic chemistry. For a give target,
Smartchemistry© maps the space of possible routes, then ranks them on the three
things that decide whether a molecule is worth making: what it costs, what it
wastes, and who owns it.
Cost
Lower cost of goods
Shorter routes on cheaper, available feedstocks change the economics of who can make a molecule, and at what margin.
IP
Fresh, ownable process IP
Novel disconnections create new, defensible patent positions – assets to hold or license, not expired chemistry to copy.
green
Cleaner, simpler process
Fewer hazardous reagents and less precious-metal catalysis, run over fewer operations – routes that are easier and safer to operate at scale.
One platform, from target
to validated route
A single repeatable workflow. The order matters – we cost and clear a route in silico before committing bench time.
01
Target & constraints
Define the molecule and the objectives that matter (cost ceiling, IP position, green targets) and the freedom-to-operate boundaries to design around.
02
AI route discovery
SmartChemistry© generates and ranks routes across disconnections a human team rarely has time to enumerate, surfacing genuinely novel paths to the same target.
03
In-silico costing and greenness
Every candidate is scored on predicted cost of goods, step count and scalability – so the shortlist is economic and practical, not just valid.
04
IP & lab validation
We confirm the leading routes are novel and non-infringing then hand the strongest candidate to the bench for confirmation and scale-up.
case studies
Proven across high-value
medicines.
Three molecules with well-documented manufacturing challenges
and where SmartChemistry© creates room to compete on price, on patents,
or on both.
Global health – tuberculosis
Phase III TB candidate
The disclosed manufacturing route ran to 13 linear steps at roughly 3% end-to-end yield, with further material lost at a chiral resolution. SmartChemistry© found a shorter, stereospecific route – since confirmed in the wet lab.
ONCOLOGY – high volume apI
CDK4/6 Inhibitor
One of the highest value small molecule franchises for the past decade, a first line treatment for advanced metastatic breast cancer with an annual cost-of-goods exposure approaching $850M, SmartChemistry© identified material route improvements.
Global health – antimalarial
Phase III antimalarial candidate
A long disclosed route pushed cost of goods to roughly $10,000/kg through step count and yield loss. SmartChemistry© proposed and then validated a route with far fewer steps, lifting end-to-end yield from 17% to 42%.
