Evidence map›Paper›PMID 39511237›Full record

ArticleNature communications2024

In silico formulation optimization and particle engineering of pharmaceutical products using a generative artificial intelligence structure synthesis method.

Timothy Hornick, Chen Mao, Athanas Koynov, Phillip Yawman, Prajwal Thool, Karthik Salish, Morgan Giles, Karthik Nagapudi, Shawn Zhang

Abstract read
In one paragraph

Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.

0numbers the graph read from it
0cells of the map it votes in
16citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

16 citing papers in PubMed.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Timothy HornickDigiM Solution LLC, Woburn, MA, USA.
Chen MaoGenentech, Inc., Synthetic Molecule Pharmaceutical Sciences, South San Francisco, CA, USA.ORCID 0000-0002-7453-0595
Athanas KoynovMerck & Co., Rahway, NJ, USA.
Phillip YawmanDigiM Solution LLC, Woburn, MA, USA.ORCID 0009-0001-9334-7163
Prajwal ThoolGenentech, Inc., Synthetic Molecule Pharmaceutical Sciences, South San Francisco, CA, USA.ORCID 0000-0001-8926-7489
Karthik SalishGenentech, Inc., Synthetic Molecule Pharmaceutical Sciences, South San Francisco, CA, USA.
Morgan GilesMerck & Co., Rahway, NJ, USA.ORCID 0000-0001-6716-6599
Karthik NagapudiGenentech, Inc., Synthetic Molecule Pharmaceutical Sciences, South San Francisco, CA, USA.
Shawn ZhangDigiM Solution LLC, Woburn, MA, USA. shawn.zhang@digimsolution.com.ORCID 0000-0002-8068-673X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Pharmaceutical drug dosage forms are critical for ensuring the effective and safe delivery of active pharmaceutical ingredients to patients. However, traditional formulation development often relies on extensive lab and animal experimentation, which can be time-consuming and costly. This manuscript presents a generative artificial intelligence method that creates digital versions of drug products from images of exemplar products. This approach employs an image generator guided by critical quality attributes, such as particle size and drug loading, to create realistic digital product variations that can be analyzed and optimized digitally. This paper shows how this method was validated through two case studies: one for the determination of the amount of material that will create a percolating network in an oral tablet product and another for the optimization of drug distribution in a long-acting HIV inhibitor implant. The results demonstrate that the generative AI method accurately predicts a percolation threshold of 4.2% weight of microcrystalline cellulose and generates implant formulations with controlled drug loading and particle size distributions. Comparisons with real samples reveal that the synthesized structures exhibit comparable particle size distributions and transport properties in release media.

Indexed as

Artificial IntelligenceParticle SizeAnti-HIV AgentsCelluloseChemistry, PharmaceuticalComputer SimulationDrug CompoundingDrug ImplantsHumansTabletsAnti-HIV AgentsCelluloseDrug Implantsmicrocrystalline celluloseTablets

Identifiers

PMID39511237
PMCPMC11544110

What OpenQuestion holds

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LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.