What is the difference between library synthesis and screen designer?

Library Synthesis suggests full conditions for a plate, with the user supplying just a substrate SMILES file as an input. The tool then identifies conditions (solvent, ligand, temperature, etc.) and clusters the plate, all to maximize overall reaction success. This typically sees a different product in each well, identifying which reactions have good yield. Typically most used in late stage discovery. Screen designer generates a full-factorial structured & machine readable layout. This typically sees 1 product generated across a whole plate, tested across many conditions. Typically most used in early stage process development.

How does the library synthesis tool identify conditions?

The tool reads each reaction and works out which chemical groups are relevant. Then it can pick conditions in two ways: literature or chemically informed. The challenge is to identify effective conditions for each reaction, and then cluster them in a way that makes it easy to dose the plate, while ensuring that all conditions selected work with a fixed temperature and time.

Do tools integrate with automated hardware?

Yes, ReactWise directly integrates with automated HTE hardware, generating worklists for platforms such as Tecan. CSV and excel exports are also supported.

HTE Plate Design

LIBRARY SYNTHESIS

Explore conditions to maximize hits‍

Submit substrate SMILES and reaction class. The tool uses pre-trained models to identify suitable conditions for each substrate. These are then effectively clustered to maximize hits and simplify execution, as seen below.

SCREEN DESIGNER

Design structured & machine-readable plates

Submit reaction conditions and details. The tool structures this into a full-factorial design. A machine readable extract is generated, ready for ingestion and execution by automated hardware. Export include Tecan worklists, as well as CSV & JSON format.

HTE software for discovery and process chemistry

Library Synthesis identifies general reaction conditions while the screen designer generates machine readable plate designs.

Explore conditions to maximize hits‍

Design structured & machine-readable plates

HTE FAQs

Save time designing plates using our simple workflow

HTE software for discovery and process chemistry

Library Synthesis identifies general reaction conditions while the screen designer generates machine readable plate designs.

Explore conditions to maximize hits‍

Design structured & machine-readable plates

HTE FAQs

What is the difference between library synthesis and screen designer?

How does the library synthesis tool indentify conditions?

Do tools integrate with automated hardware?

Save time designing plates using our simple workflow