About Us

NextMove Software was founded in 2010 to develop next-generation chemoinformatics solutions to pharmaceutical industry problems. The company is located on the Cambridge Science Park in the United Kingdom.

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People

Roger A. Sayle, Ph.D., CEO and Founder

Roger Sayle gained his Ph.D. in Computer Science from the University of Edinburgh, Scotland. Before starting NextMove Software, Roger has worked at Glaxo-Wellcome (now GSK), Metaphorics LLC and OpenEye Scientific Software.

John W. Mayfield, Ph.D., Senior Software Engineer

John Mayfield (né May) joined NextMove Software in 2014 after completing his PhD at the European Bioinformatics Institute (EMBL-EBI) under the supervision of Dr Christoph Steinbeck. In his spare time he is a release manager of the Chemistry Development Kit and documents improvements to this library on his blog, efficient bits.

Ingvar Lagerstedt, Ph.D., Senior Software Engineer

Ingvar gained his Ph. D. in Organic Chemistry from Chalmers University in Gothenburg, Sweden. After a postdoctoral position at Yale University, Ingvar has worked and developed scientific software in a variety of roles at Oxford Molecular, Accelrys, ClearSpeed, EBI, and Eli Lilly.

Rachael Pirie, Ph.D., Senior Software Engineer

Rachael joined NextMove following a Ph.D in Chemoinformatics at Newcastle University, supervised by Dr Daniel Cole and Dr Stuart Hall. During her PhD she completed a placement at The Alan Turing Institute through their Enrichment Scheme.

Michael Blakey, Software Engineer

Michael gained his Ph.D. in Computer Science & Chemistry from the University of Southampton under Professor Jeremy Frey, joining NextMove in 2024. Outside of cheminformatics Michael is an active contributor for the PlayStation line of open-source emulators (pcsx2, rpcs3).

Careers

We are always on the lookout for bright and talented people who know their way around chemical data. See our Careers page for more info.

Contact

Address:
NextMove Software Limited
Innovation Centre
320 Cambridge Science Park
Milton Road
Cambridge CB4 0WG
United Kingdom

General Inquiries: info@nextmovesoftware.com
Support: support@nextmovesoftware.com

UK company number: 7588305
Registered in England and Wales
VAT number: GB 111 1684 57

Arthor provides fast state-of-the-art substructure and chemical similarity search capabilities for ultra-large databases of hundreds of millions of compounds, using SMARTS optimization, Just-In-Time compilation and/or GPUs.

CaffeineFix is used to rapidly match chemical names or terms against a dictionary or grammar (e.g. a grammar for IUPAC names). As well as use in text-mining, it can be used to provide autocomplete functionality and spell-correction.

Casandra is a server for delivering real time safety warnings of experimental hazards straight to the pharmaceutical electronic laboratory notebooks (ELNs).

HazELNut is a suite of tools used to extract, normalize and analyse information in Electronic Lab Notebooks (ELNs). This can be used to implement a search interface, find/eliminate duplicates, find similar reactions and so on.

LeadMine extracts chemical names and terms from text. It incorporates NextMove's CaffeineFix technology to find terms that match appropriate dictionaries or grammars. It has enhanced functionality to handle the patent literature.

Matsy is a set of tools for creating and analysing Matched Molecular Series (the general form of Matched Molecular Pairs). In particular, it can be used to suggest what compound to make next in a Medicinal Chemistry program.

MPSearch rapidly searches a database to find Matched Pairs related to a query molecule. This type of search is used to explore previous medicinal chemistry strategies.

NameRXN is used to classify and name reactions. It is particular useful in the context of ELN analysis but also as a plugin to chemical drawing software. NameRXN builds on NextMove Software's Patsy technology.

Patsy is used to speed up SMARTS pattern matching by creating optimized SMARTS patterns or source code. Speed gains are particularly large when multiple SMARTS patterns are matched against a single structure.

Pistachio is a reaction dataset browser providing loading, querying, and analytics of chemical reactions. With over 9 million chemical reactions extracted from US & EPO patents, it demonstrates an AI interface to faceted (structure) search

SmallWorld is an index of chemical space based on more than 230 billion molecular substructures. It can be used to measure similarity based on graph-edit distance, find the MCS of two or more molecules, analyse HTS results and much more.

Sugar & Splice can be used to perceive and depict biopolymer structure. It makes it easy to interconvert between small-molecule representations (e.g. SMILES, MOL) and biopolymer representations (HELM, IUPAC line notation).

General Inquiries: info@nextmovesoftware.com Support: support@nextmovesoftware.com