ArticleACS medicinal chemistry letters2019
Creating a Virtual Assistant for Medicinal Chemistry.
Article in ACS medicinal chemistry letters, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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.
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.
Who cites it
6 citing papers in PubMed.
- Developments and challenges in hit progression within fragment-based drug discovery.Nature communications · 2026Review
- Extracting medicinal chemistry intuition via preference machine learning.Nature communications · 2023Article
- Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks.ACS medicinal chemistry letters · 2021Article
- Artificial Intelligence for Autonomous Molecular Design: A Perspective.Molecules (Basel, Switzerland) · 2021Review
- Building Admiral, an Automated Molecular Dynamics and Analysis Platform.ACS medicinal chemistry letters · 2020Article
- Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.Journal of medicinal chemistry · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The virtual assistant concept is one that many technology companies have taken on despite having other well-developed and popular user interfaces. We wondered whether it would be possible to create an effective virtual assistant for a medicinal chemistry organization, the key being delivering the information the user would want to see, directly to them, at the right time. We introduce Kernel, an early prototype virtual assistant created at Lilly, and a number of examples of the scenarios that have been implemented to try to demonstrate the concept. A biochemical assay summary email is described that brings together new results and some basic analysis, delivered within an hour of new data appearing for that assay, and an email delivering new compound design ideas directly to the original submitter of a compound shortly after their compound was tested for the first time. We conclude with a high level description of the first example of a Design-Make-Test-Analyze cycle completed in the absence of any human intellectual input at Lilly. We believe that this concept has much potential in changing the way that computational results and analysis are delivered and consumed within a medicinal chemistry group, and we hope to inspire others to implement their own similar solutions.
Identifiers
What OpenQuestion holds
Registered trials
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.