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Bringing Scalability Into Chemistry Modeling

Posted on November 18th, 2020 by in Chemistry

Synthetic chemistry has been with us for centuries, but it is now entering a new frontier. Big data, AI and machine learning are unlocking a predictive power that is transforming the conceptualization and optimization of synthetic routes.

A new white paper from the Entellect team titled “The foresight to bring scalability into chemistry modeling” looks at approaches to predictive chemistry modeling and considers how those models can be scaled to a sustainable pipeline that will be able to fully support pharmaceutical and chemical R&D. 

The paper explores topics like:

* The advantages of leveraging predictive chemistry models

* How to tackle the scale-up of predictive chemistry models, including prioritizing collaboration, focusing on high-value activities and guaranteeing data security

* The importance of quality data and the FAIR Data Principles

* Learning to evolve to meet the needs of end users

Interested in finding out more about scaling predictive reaction chemistry models? Read the white paper now.

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