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AI in Drug Discovery - A Highly Opinionated Literature Review (Part III)

Practical Cheminformatics

Following up on Part I and Part II, the third post in this series is a collection of review articles published in 2023 that I found helpful.

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Lead Pharma enters into a Research Collaboration and License Agreement with Roche to Develop Oral Small Molecules for Immune Mediated Diseases

The Pharma Data

R&D collaboration building on Lead Pharma’s expertise in the discovery, design and optimization of small molecule treatments. Lead Pharma is headquartered at Pivot Park, the biopharmaceutical life sciences campus in Oss, the Netherlands. OSS, Netherlands , Nov. OSS, Netherlands , Nov.

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Unlocking the potential of natural products in drug discovery

Drug Target Review

Between 2000 and 2020, approximately 30 percent of the newly introduced small molecule drugs were derived from natural products. About the authors August Allen August has a decade of experience building high throughput automation, scaling teams, and solving problems at the intersection of technology and life sciences.

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Breakthrough in Functional Annotation with HiFi-NN

Nvidia Developer: Drug Discovery

The applications of artificial intelligence for enzyme generation is an exciting field of research with direct applications in the life sciences. Advances in these scientific challenges are a critical necessity to further advance drug discovery, environmental science, and bioengineering.

Science 102
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Reaching cruising altitude: New discovery tools to target RNA

Dark Matter Blog

The majority of small molecule drugs induce their therapeutic effects by seeking out and binding to their intended target while avoiding most other molecules in the dense milieu of the cell interior. Our overall mission at Arrakis is to expand the set of “druggable” targets for small-molecule medicines to include RNA.

RNA 52
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Biochemical assays and deep cyclic inhibition in cancer treatment

Drug Target Review

Once a new drug target is identified, a proprietary deep learning artificial intelligence (AI) platform we call Fluency can rapidly identify small molecules that selectively bind to a target of interest. Our assays and bioinformatics modelling can help identify certain indications that are appropriate for DCI while ruling others out.

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AI in Drug Discovery - A Highly Opinionated Literature Review (Part II)

Practical Cheminformatics

A preprint from Microsoft AI Research provided a broad catalog of potential LLM applications in the physical and life sciences. Ren and coworkers from the Chinese Academy of Sciences published a preprint with one approach to overcoming some limitations of scoring structure-based generative models.

Drugs 139