CHEMLOCATOR

József Dávid

Problem scope

ChemLocator introduction

Look inside

Integrations

Deployment

Agenda

PROBLEM SCOPE

StatementTime spent per week

(hours)

Cost of search time

per week ($)Value per year ($)

Value for 100 users

($) / year

COSTS:

Average serch time spent 5 * $255 * $13 260 $1 326 000

* Average salary of scientist/chemist. $90.000/year (according to glassdoor.com). 220 workdays/year.

Search is expensive

Statement

Time spent

per week

(hours)

Cost of search

time per week

($)

Value per year

($)

Value for 100

users ($) /

year

* CL license

cost

( $ / 100 user /

annual)

Saving on 100

users / year

($)

ROI (in

months)

SAVINGS:

Save time 1 $51 $2 652 $265 200 $22 600 $242 600 1 Month

* CL = ChemLocator

But can be cheaper

Real life example

CHEMLOCATOR INTRODUCTION

A web based search tool to find chemistry in unstructured data

Unstructured data (or unstructured information) refers to information that either does not have a pre-

defined data model or is not organized in a pre-defined

manner.

ChemLocator does not store documents

What is ChemLocator

pdf html doc docx xls xlsx

pptx ppt one cdx mrv mol

rdf email aspx xml sdf etc...

iupac cdxml inChi cas smiles rxn

CMS

Search

(ChemLocator)

Collaboration

Digital asset

management

Records

management

Workflow

Capture

Content Management (CMS) Enterprise Content Management (ECM)

Search

What is ChemLocator

Local

Folders

Shared drives

ChemLocatorWebsites

3rd party repositories

Purpose

LOOK INSIDE

ChemLocator

Search Show

SE

CU

RIT

Y T

RIM

MIN

G

Through integration

Free Text Search

Chemical Search

Metadata Search

Ontology Search

Tag Search

Corporate ID Search

Compliance Search

Search features

ChemLocator – Windows Service

CLIENT starts indexing

REST API (owin)

http request

(JSON)

Local

Repository

Google

Drive

http response

(JSON)

Active

Directory

Azure

Drive

Indexing component

ChemLocator

DB

Identity Server (owin)

AUTHORIZATION

AUTHENTICATION

Crawler

Create indexing queue

Indexing node 1

Pick from indexing queue

Extractors

Store

structuresAdd to free

text indexFree text index files

Indexing node 2

Get doc/content

Under the hood - Indexing

Owin – Web Server

ChemLocator - Windows Service

Content

Repository

Identity Server

REST API

CLIENT starts a search

Active

Directory

Authorization

Authentication

Query node

Query node

selector

Structure query

(JChem Base)Free text query

Ontology Query

Free text query

(Lucene / Elastic)

Tags query

(Lucene / Elastic)

Collect documents

for structures

Security

trimming

Merge

hits

= WCF call (TCP binding)

Under the hood - Search

Document source: Local Drive

Repository size: 60GB

Document count: 123 000

Structure count: 2 800 000

Performance – Single server env.

INTEGRATIONS

Corporate ID

OSR / OCR

Chemical files

and formats

Nomenclauture

Advanced chemical features

• Chemical Search in 2017? - Not enough anymore

• Combination of Chemical and free text search? - Better

• Then, what’s important?

• Speed, accuracy

• Search is a „feature” of a complex software

Ontology (Virtuoso)

Compound Registration

Compliance Checker

Lucene.NET

Elastic Search

SharePoint

Synergy

INTEGRATION

Integrations

Extension / Integration

Ontology

Find me cancer types and

precancerous symptoms,

conditions

Company A

Company B Company C

Histamine in registration systems

Company A

ACMP-1

Company B

BCMP-2

Company C

CCMP-3

Corporate IDs

DEPLOYMENT

PERSONAL edition

No IT

Easy configuration

SERVER edition

INSTALLER - NICE

Complete

Seamless deployment

• Web based, fast hybrid search tool with fine

grained security

• Extensible. Integrable with 3rd party apps

• Works on your documents

• No IT deployment

Take home

PÉTER BÍRÓ

CATALIN BOLDAN

JÓZSEF DÁVID

ANNA KERTÉSZ

THANK YOU

József Dávid