Chemsearch: collaborative compound libraries with structure-aware browsing.

Stephen G Gaffney, Sarah Smaga, Alanna Schepartz, Jeffrey P Townsend

Abstract read

In one paragraph

Article in Bioinformatics advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

4 authors.

Stephen G GaffneyDepartment of Biostatistics, Yale University School of Public Health, New Haven, CT 06510 USA.ORCID https://orcid.org/0000-0002-5490-2945

Sarah SmagaDepartment of Chemistry, University of California Berkeley, Berkeley, CA 94705, USA.ORCID https://orcid.org/0000-0003-3469-2642

Alanna SchepartzDepartment of Chemistry, University of California Berkeley, Berkeley, CA 94705, USA.ORCID https://orcid.org/0000-0003-2127-3932

Jeffrey P TownsendDepartment of Biostatistics, Yale University School of Public Health, New Haven, CT 06510 USA.ORCID https://orcid.org/0000-0002-9890-3907

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Summary: Chemsearch is a cross-platform server application for developing and managing a chemical compound library and associated data files, with an interface for browsing and search that allows for easy navigation to a compound of interest, similar compounds or compounds that have desired structural properties. With provisions for access control and centralized document and data storage, Chemsearch supports collaboration by distributed teams. Availability and implementation: Chemsearch is a free and open-source Flask web application that can be linked to a Google Workspace account. Source code is available at https://github.com/gem-net/chemsearch (GPLv3 license). A Docker image allowing rapid deployment is available at https://hub.docker.com/r/cgemcci/chemsearch.

Identifiers

PMID36700113

DOI10.1093/bioadv/vbab008

PMCPMC9710581

What OpenQuestion holds

Textmetadata

LicenceCC BY

Read underepoch 390

Registered trials

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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.