IUPAC D3SC Newsletter

Editors‘ Note

The Drug Discovery and Development Subcommittee (D3SC) is part of IUPAC Division VII – Chemistry and Human Health and our mission is to facilitate the understanding and public awareness of the topic of Drug Discovery and Development and its international impact with an emphasis on medicinal chemistry.

The D3SC NEWSLETTER is a web-based offering complementary to IUPAC’s Chemistry International and focusing on advances in Drug Discovery & Development Chemistry. In addition to posting current information, we will invite Expert‘s Opinions to introduce and/or critically comment on new technologies, therapeutic modalities or new approaches in Drug Discovery and Development Chemistry. These brief articles will focus on the key advantages, current status of maturity and its impact on Drug Discovery & Development. In addition, the D3SC Newsletter will highlight news from IUPAC Division VII and its Subcommittees and alerts on conferences and key publications in the field.

The first edition [Sep 2021] of this newsletter will cover the topic of Artificial Intelligence in Drug Discovery & Development.


Recent and ongoing projects in D3SC




Upcoming Conferences related to Drug Discovery and Development


For more information and members of our Subcommittee please visit https://iupac.org/body/703
For more information about the Chemistry and Human Health Division, visit https://iupac.org/body/700 .

All comments to content and suggestions for improving the NEWSLETTER are welcome from the editors, Michael Liebman <[email protected]>, Gerd Schnorrenberg <[email protected]>, and Balu Balasubramanian <[email protected]>

Feature  (full text published in Chemistry International Jan 2022)

The Role of Artificial Intelligence in Drug Discovery and Development

Artificial Intelligence (AI) is an exciting growing field. Due to the high and growing number of data, the comprehensive evaluation of information behind data makes AI tools indispensable. In Drug Discovery and Development the application of AI has become important to accelerate progress and enhance decision making in many fields and disciplines of medicinal chemistry, upscaling, molecular and cell biology, pharmacology, pharmacokinetics, formulation development and toxicology. In clinical testing AI has high importance in increasing success rates by enhancing trial design (biomarkers, efficacy parameters, dose selection, trial duration), selection of the target patient population, patient stratification and evaluation of patient samples. The increasing relevance of AI in drug discovery and development is reflected by the growing number of start-up companies specialized in this field, the growing number of collaborations from Pharma with AI platforms, and the high number of articles and reviews reporting current applications, their success and limitations.

In the first part of this article, Michael Liebman focuses on a general overview on AI in drug discovery and development; the second part provided by Yann Gaston-Mathé and his colleagues from IKTOS (France)–an AI company specialized in drug discovery and development-related AI applications, highlights key points to succeed in AI drug discovery projects.

Request a full text preprint by e-mail <[email protected]>


Photo by National Cancer Institute on Unsplash

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