Tuesday, November 2, 2021

Bringing Scalability Into Chemistry Modeling


Posted on November 18th, 2020 by Ani Marrs 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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