# Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge

**Authors:** Julian E Fuchs, Andreas Bender, Robert C Glen

PMC · DOI: 10.1002/minf.201400166 · Molecular Informatics · 2015-03-10

## TL;DR

This paper reviews the cheminformatics research conducted at the University of Cambridge's Centre for Molecular Informatics, highlighting its impact on the field.

## Contribution

The paper provides a retrospective of research at UCMSI, emphasizing its role in advancing cheminformatics through open data and tools.

## Key findings

- The Centre has published over 300 scientific articles that have significantly influenced molecular informatics.
- UCMSI has developed tools and protocols widely used in cheminformatics practice.
- Collaborations with industry have provided real-world feedback and high-quality data for research.

## Abstract

The Centre for Molecular Informatics, formerly Unilever Centre for Molecular Science Informatics (UCMSI), at the University of Cambridge is a world-leading driving force in the field of cheminformatics. Since its opening in 2000 more than 300 scientific articles have fundamentally changed the field of molecular informatics. The Centre has been a key player in promoting open chemical data and semantic access. Though mainly focussing on basic research, close collaborations with industrial partners ensured real world feedback and access to high quality molecular data. A variety of tools and standard protocols have been developed and are ubiquitous in the daily practice of cheminformatics. Here, we present a retrospective of cheminformatics research performed at the UCMSI, thereby highlighting historical and recent trends in the field as well as indicating future directions.

## Full-text entities

- **Genes:** APLNR (apelin receptor) [NCBI Gene 187] {aka AGTRL1, APJ, APJR, HG11}, CYP4F3 (cytochrome P450 family 4 subfamily F member 3) [NCBI Gene 4051] {aka CPF3, CYP4F, CYPIVF3, LTB4H}, TNF (tumor necrosis factor) [NCBI Gene 7124] {aka DIF, IMD127, TNF-alpha, TNFA, TNFSF2, TNLG1F}, HTR1B (5-hydroxytryptamine receptor 1B) [NCBI Gene 3351] {aka 5-HT-1B, 5-HT-1D-beta, 5-HT1B, 5-HT1DB, HTR1D2, HTR1DB}, SLC24A1 (solute carrier family 24 member 1) [NCBI Gene 9187] {aka CSNB1D, HsT17412, NCKX, NCKX1, RODX}, ERN1 (endoplasmic reticulum to nucleus signaling 1) [NCBI Gene 2081] {aka IRE1, IRE1P, IRE1a, hIRE1p}, APLN (apelin) [NCBI Gene 8862] {aka APEL, XNPEP2}, ABCB1 (ATP binding cassette subfamily B member 1) [NCBI Gene 5243] {aka ABC20, CD243, CLCS, ENPAT, GP170, MDR1}
- **Diseases:** Hypertension (MESH:D006973), Pulmonary Hypertension (MESH:D006976), toxicity (MESH:D064420), cancer (MESH:D009369)
- **Species:** Homo sapiens (human, species) [taxon 9606]

## Full text

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## Figures

4 figures with captions in the complete paper: https://tomesphere.com/paper/PMC4583778/full.md

## References

94 references — full list in the complete paper: https://tomesphere.com/paper/PMC4583778/full.md

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Source: https://tomesphere.com/paper/PMC4583778