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Past Events Archive

2018

RSC-BMCS/RSC-CICAG Artificial Intelligence in Chemistry
Royal Society of Chemistry, Burlington House, London, UK
Friday 15^th June 2018

Dotmatics Symposium UK 2018
Wellcome Genome Campus Conference Centre, Hinxton, UK
14^th-15^th June 2018

11^th International Conference on Chemical Structures (ICCS)
Noordwijkerhout, The Netherlands
27^th-31^st May 2018

2018 BioIT World Conference & Exposition
Seaport World Trade Center, Boston, Massachusetts
15^rd-17^th May 2018

255^th ACS National Meeting & Exposition
New Orleans, Louisiana, USA
18^th-22^nd March 2018

EBI Industry Workshop: AI-Assisted Knowledge Acquisition for Biomedical Researchers
European Bioinformatics Institue (EBI), Hinxton, Cambridgeshire, UK
7^th-8^th March 2018

Cambridge Cheminformatics Network Meeting
Centre for Molecular Informatics, Chemistry Department, Cambridge, UK
Wednesday 14^th February 2018

2017

Cambridge Cheminformatics Network Meeting
Centre for Molecular Informatics, Chemistry Department, Cambridge, UK
Wednesday 29^th November 2017

SCI: What can Big Data do for Chemistry?
SCI, Belgrave Square, London, UK
Wednesday 11^th October 2017

6^th RDKit User Group Meeting
Dahlem Campus, Freie University Berlin, Berlin, Germany
20^th-22^nd September 2017

Cambridge Cheminformatics Network Meeting
Cambridge Crystallographic Data Centre (CCDC), Cambridge, UK
Wednesday 6^th September 2017

254^th ACS National Meeting & Exposition
Washington DC, USA
20^th-24^th August 2017

Status and Future of the IUPAC InChI: Context and Use Cases
NIH Campus, Bethesda, Maryland, USA
16^th-18^th August 2017

2017 BioIT World Conference & Exposition
Seaport World Trade Center, Boston, Massachusetts
23^rd-25^th May 2017

Spring 2017 UKQSAR Meeting
Syngenta, Jealott's Hill, Berkshire, UK
Wednesday 26^th April 2017

253^rd ACS National Meeting & Exposition
San Francisco, California
2^nd-6^th April 2017

Cambridge Cheminformatics Network Meeting
Centre for Molecular Informatics, Chemistry Department, Cambridge, UK
24^th May 2017

Cambridge Cheminformatics Network Meeting
Cambridge Crystallographic Data Centre (CCDC), Cambridge, UK
15^th February 2017

2016

Cambridge Cheminformatics Network Meeting
European Bioinformatics Institue (EBI), Hinxton, Cambridgeshire, UK
7^th December 2016

5^th RDKit User Group Meeting
Novartis, Basel, Switzerland
26^th-28^th October 2016

UK QSAR Autumn 2016 Meeting
The Institute of Cancer Research (ICR), Sutton, UK
Wednesday 19^th October 2016

Cambridge Cheminformatics Network Meeting
Centre for Molecular Informatics, Chemistry Department, Cambridge, UK
31^st August 2016

252^nd ACS National Meeting & Exposition
Philadelphia, Pennsylvania, USA
21^st-25^th August 2016

7^th Joint Sheffield Conference on Chemoinformatics
The Edge, University of Sheffield, Sheffield, UK
4^th-6^th July 2016

2016 BioIT World Conference & Exposition
Seaport World Trade Center, Boston, Massachusetts, USA
5^th-7^th April 2016

UK QSAR Spring 2016
GlaxoSmithKline, Stevenage, UK
15^th-16^th March 2016

251^st ACS National Meeting & Exposition
San Diego, California, USA
13^th-17^th March 2016

Cambridge Cheminformatics Network Meeting
Cambridge Crystallographic Data Centre (CCDC), Cambridge, UK
17^th February 2016

2015

UK QSAR Autumn 2015
Duxford, Cambridgeshire, UK
6^th October 2015

BioCreative V Challenge and Workshop
Sevilla, Spain
9^th-11^th September 2015

4^th RDKit User Group Meeting
ETH, Zurich, Switzerland
2^nd-4^th September 2015

250^th ACS National Meeting & Exposition
Boston, Massachusetts, USA
16^th-20^th August 2015

RSC Meeting: From Big Data to Chemical Information
RSC, Burlington House, London, UK
22^nd April 2015

2015 BioIT World Conference & Exposition
Seaport World Trade Center, Boston, Massachusetts, USA
21^st-23^rd April 2015

249^th ACS National Meeting & Exposition
Denver, Colorado, USA
22^nd-26^th March 2015

Cambridge Cheminformatics Network Meeting
CCDC, Cambridge, UK
25^th February 2015

2014

MGMS Young Modellers' Forum 2014
School of Oriental and African Studies, London, UK
28^th November 2014

InChI for Large Molecules
NCBI, Lister Hill Center, Bethesda, MD, USA
27^th-28^th October 2014

3rd RDKit User Group Meeting
Merck KGaA, Darmstadt, Germany
22^nd-24^th October 2014

Royal Society of Chemistry CICAG: What's in a Name?
RSC Library, Burlington House, Piccadilly, London, UK
21^st October 2014

UK QSAR Autumn 2014
Cambridge Crystallographic Data Centre (CCDC), Cambridge, UK
30^th September 2014

Discuva: One Bug, One Drug Conference
Peterhouse College, Cambridge, UK
24^th September 2014

Dotmatics European User Group Meeting 2014
Down Hall Country House Hotel, Hertfordshire, UK
15^th-16^th September 2014

Dial-a-Molecule: Computational Prediction of Reaction Outcomes and Optimum Synthetic Routes
Westwood Hall Conference Centre & Hotel, Leeds, UK
10^th-11^th September 2014

Cambridge Cheminformatics Network Meeting
Unilever Centre, Cambridge, UK
27^th August 2014

248^th ACS National Meeting & Exposition
San Francisco, California, USA
10^th-14^th August 2014

Defining the Future for Open Notebook Science – A Memorial Symposium Celebrating the Work of Jean-Claude Bradley
Chemistry Department, University of Cambridge, UK
14^th July 2014

10^th International Conference on Chemical Structures and 10^th German Conference on Chemoinformatics
Noordwijkerhout, The Netherlands
1^st-5^th June 2014

Cambridge Cheminformatics Network Meeting
Unilever Centre, Cambridge, UK
28^th May 2014

ChemAxon User Group Meeting (UGM) Budapest 2014
Hotel Novotel Budapest Centrum, Budapest, Hungary
20^th-21^st May 2014

2013

25^th International Conference for the Information Community (ICIC) 2013
Hotel Savoyen, Vienna, Austria
13^th-16^th October 2013

2^nd RDKit User Group Meeting
EBI, Hinxton, Cambridgeshire, UK
2^nd-4^th October 2013

ChemAxon US User Group Meeting San Diego 2013
Catamaran Resort Hotel & Spa, San Diego, California, USA
23^rd-25^th September 2013

Dotmatics European User Group Meeting 2013
Down Hall Country House Hotel, Hertfordshire, UK
16^th-17^th September 2013

246^th ACS National Meeting & Exposition
Indianapolis, Indiana, USA
8^th-12^th September 2013

IUPAC 2013: 47^th General Assembly
Istanbul, Turkey
8^th-15^th August 2013

6^th Joint Sheffield Conference on Chemoinformatics
The Edge, University of Sheffield, Sheffield, UK
22^nd-24^th July 2013

ChemAxon User Group Meeting Budapest 2013
Hotel Novotel Budapest Centrum, Budapest, Hungary
28^th-29^th May 2013

OpenEye EuroCUP VI
Duin & Kruidberg Hotel, Santpoort, The Netherlands
15^th-17^th May 2013

245^th ACS National Meeting & Exposition
New Orleans, Louisiana, USA
7^th-11^th April 2013

2012

UK QSAR Autumn 2012 Meeting
Downing College, Cambridge, UK
Thursday 8^th November 2012

1^st RDKit User Group Meeting
The Institute of Cancer Research, London, UK
3^rd-4^th October 2012

2011

9^th International Conference on Chemical Structures (ICCS)
Noordwijkerhout, The Netherlands
5^th-9^th June 2011

2010

6^th German Conference on Cheminformatics (GCC)
Goslar, Germany
7^th-9^th November 2010

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 7 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 4 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).