KNIME: An Update - Chemaxon

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KNIME: an updateJon Fuller, Ph.D.ChemAxon Annual Meeting 2016May 2016 2016 KNIME.com AG. All Rights Reserved.

The KNIME Analytics Platform 2016 KNIME.com AG. All Rights Reserved.2

Broad Range of KNIME Application Areas & CustomersPharmaManufacturingHealth tail 2016 KNIME.com AG. All Rights Reserved.3

Over 1000 native and embedded nodes included:Data AccessMySQL, Oracle, .SAS, SPSS, .Excel, Flat, .Hive, Impala, .XML, JSON, PMMLText, Doc, Image, .Web CrawlersIndustry SpecificCommunity / 3rd 2016 KNIME.com AG. All Rights Reserved.TransformationRow,ColumnMatrixText, ImageTime SeriesJavaPythonCommunity / 3rdAnalysis & MiningStatisticsData MiningMachine LearningWeb AnalyticsText MiningNetwork AnalysisSocial Media AnalysisR, Weka, PythonCommunity / 3rd4VisualizationR, PythonJFreeChartJavaScriptCommunity / 3rdDeploymentvia BIRTPMMLXML, JSONDatabasesExcel, Flat, etc.Text, Doc, ImageIndustry SpecificCommunity / 3rd

Infocom JChem KNIME NodesExtensions of ChemAxon’s tool forKNIME workflowInfocom implements it with thesupport of ChemAxonContains over 90% of ChemAxon'scheminformatics functionality 2016 KNIME.com AG. All Rights Reserved.5

Some typical drug-discovery use cases Building, validating, and applying predictive models(e.g. QSAR) Virtual screening Chemistry experiment planning NGS data analysis HCS data analysis 2016 KNIME.com AG. All Rights Reserved.66

The KNIME Commercial Extensions 2016 KNIME.com AG. All Rights Reserved.7

KNIME SoftwareKNIME commercial extensions to the platform for collaboration, productivity, performance 2016 KNIME.com AG. All Rights Reserved.8

KNIME Big Data Architecture 2016 KNIME.com AG. All Rights Reserved.9

KNIME Server 2016 KNIME.com AG. All Rights Reserved.10

KNIME Server 2016 KNIME.com AG. All Rights Reserved.11

Some recent additions 2016 KNIME.com AG. All Rights Reserved.12

Streaming Default Execution Streaming Execution– Row-wise– Process, pass & forget Faster with less I/O overhead– Concurrent executionAdvantagesLess I/O overhead (process, pass & forget)Parallelization 2016 KNIME.com AG. All Rights Reserved.DisadvantagesNo intermediate results, no interactiveexecutionNot all nodes can be streamed13

Streaming – Pros and ConsAdvantages Less I/O overhead (process, pass & forget) ParallelizationDisadvantages No intermediate results, no interactive execution Not all nodes can be streamed 2016 KNIME.com AG. All Rights Reserved.14

WebPortalPage 3Page 1aPage 5Page 1Page 2Page 4 2016 KNIME.com AG. All Rights Reserved.15

KNIME Server REST API 2016 KNIME.com AG. All Rights Reserved.16

ChemAxon tools and REST APIKNIME ServerHTTP POSTResultGreat for:New method developmentRapid PrototypingIntegrating heterogeneous data 2016 KNIME.com AG. All Rights Reserved.17

KNIME Analytics Platform: Try it Now!1.Download fromwww.knime.com2.Browse the KNIMELearning Hub atwww.knime.com/learning-hub3.Check out KNIME Press“KNIME Beginner’s Guide”4.Become active on our Forum! 2016 KNIME.com AG. All Rights Reserved.18

The KNIME trademark and logo and OPEN FOR INNOVATION trademark are used byKNIME.com AG under license from KNIME GmbH, and are registered in the United States.KNIME is also registered in Germany. 2016 KNIME.com AG. All Rights Reserved.19

The KNIME trademark and logo and OPEN FOR INNOVATION trademark are used by KNIME.com AG under license from KNIME GmbH, and are registered in the United States. KNIME is also registered in Germany.