Building cheminformatics infrastructure
for the molecular economy.
In Silico Biolabs is developing the computational layer for how modern chemistry, biology, and materials teams design, plan, and decide on molecules — starting with retrosynthesis and pathway discovery.
Why now
Chemistry is entering a computational era. AI-native research environments, structured molecular data, and programmable lab infrastructure are converging — but the connective software layer between chemical intent and executable pathways is still fragmented, academic, or locked inside legacy enterprise suites.
In Silico Biolabs is building that layer: modern, API-ready, AI-compatible cheminformatics infrastructure that R&D teams, biotech companies, and industrial chemistry groups can actually deploy against real molecules.
Where we play
Our software is applicable across pharmaceutical R&D, synthetic biology, specialty chemicals, agrochemicals, materials science, and energy — anywhere molecular decision-making sits on the critical path.
The initial wedge is retrosynthesis and pathway discovery, a workflow every synthesis chemist and metabolic engineer touches, with adjacent expansion into feasibility scoring, reaction intelligence, and AI-agent-driven chemistry.
RetSynth and beyond
RetSynth is our first product: a retrosynthesis and pathway discovery platform designed for both chemists and programmable research environments. It is being developed with structured outputs, an API-ready architecture, and future MCP-compatible connectors for AI-native workflows.
RetSynth is the foundation for a broader cheminformatics platform — reaction intelligence, feasibility scoring, and integration infrastructure for AI agents operating over chemistry.
Who is building this
In Silico Biolabs is founded and led by operators with deep technical backgrounds in computational chemistry, cheminformatics, and software infrastructure. The company is being built with a long-term view: infrastructure-grade software, defensible technology, and enterprise-ready design from day one.
Additional team, advisor, and technical detail is available under NDA as part of the investor materials.
We're currently raising.
We're speaking with investors aligned on deep-tech, scientific software, and long-horizon infrastructure companies. If that's you, we'd like to talk.