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Towards predicting the formation of drug solvent adducts
24 February 2022 16:00, Cambridge, United Kingdom
Introduction
In this webinar Luca Iuzzolino from Merck & Co. Inc. will speak on his recent work, towards predicting the formation of drug solvent adducts.
The ability to predict the formation of solvates during solid form screening would be valuable in pharmaceutical development, to identify potential challenges early. Achieving this with crystal structure prediction (CSP) methods presents challenges in cost and compute power.
In the webinar you will learn:
Context: the need for solvate prediction, and current challenges.
Planning: how informatics and stability calculations were used.
Methods and results: from data selection to outcomes.
Conclusions: impact and future directions.
Useful links
Speakers
Luca IuzzolinoSenior Scientist in Computational Chemistry at Merck, United Kingdom
Venue
Cambridge Crystallographic Data Centre
Cambridge Crystallographic Data Centre, Cambridge, CB21EZ, United Kingdom
