Chemputability – Upfront Makeability Assessment

Case Study—
Chemputability – Upfront Makeability Assessment

Chemify’s technology algorithmically scores each molecule’s Chemputability—its practical makeability—before synthesis begins. This upfront assessment reveals whether a design can be made and, if not, it suggests Chemputable alternatives, bridging the gap between design and make.

Context and Approach

For each partner’s molecule set, Chemify’s ASSEMBLER uses supervised learning for retrosynthesis and assembly-based forward analysis to define minimal construction pathways from validated building blocks and reaction classes. Routes are scored for Chemputability by comparing each step to Chemify’s expanding database of hundreds of reaction classes and hundreds of thousands of validated reactions — the largest digitized dataset of its kind. 

ASSEMBLER ranks routes by platform efficiency, reaction certainty, step count, yield, and material cost, overcoming the unreliability of literature-based retrosynthesis and preventing costly synthetic failures.

Below are examples of our ASSEMBLER in action.

Retro and forward route generation

Chemputability scoring

Prioritized route ready for synthetic execution

Differentiating Features

We assess the makeability of every molecule before committing resources to synthesis, using only fully validated reactions that have been successfully run—not unverified literature procedures. If a molecule is not highly Chemputable, we suggest alternative structures that access the same chemical space and meet your target parameters while being readily synthesizable.

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If you would like to know how makeable your molecules are before you commit or spend resources on attempting to synthesize, we would love to hear from you.

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