an instem company leadscope solutions€¦ · leadscope.com | [email protected] information...

Fast, accurate and defendable toxicity predictions

Easy-to-use / out-of-the box tool to predict toxicity and perform expert review

Available predictive models include:• Genetic toxicity statistical QSARs• Genetic toxicity expert alerts• Skin sensitization• Carcinogenicity• Acute toxicity• Reproductive and developmental toxicity• Organ toxicity (liver, kidney, cardiac)• Environmental toxicity

leadscope.com | [email protected] Information Solutions for Life

Search curated toxicity databases

Only Leadscope enables you to access over 500,000 toxicity studies (covering all major endpoints) for over 200,000 chemicals integrated from different public sources alongside proprietary information

Available databases include:• SAR Genetox database• SAR Carcinogenicity database• Leadscope toxicity database

Extract knowledge from public and proprietary data

Build QSAR models, find expert alerts, perform and document read-across

Available through:• Leadscope (Personal, Hosted or Enterprise)• Leadscope predictive data miner

Flexible deployment and reporting options

Desktop out-of-the box solution, with client-server, web-based access and web services / Knime plug-ins options

Available through:• Leadscope model applier• Leadscope (Personal, Hosted or Enterprise)

About InstemPowerful Solutions . Unique Perspective . Global Coverage

Instem is a leading supplier of IT applications and services to the early development healthcare market, delivering compelling solutions for data collection, analysis and regulatory submissions management. Instem’s advanced, best-in-class IT solutions and services help leading life science and healthcare organizations to bring life-changing products to market faster.

We supply breakthrough technology and services to more than 500 clients around the world, helping them to efficiently access, capture, manage and enrich a wide array of data, while generating new insight to advance their mission.

Instem supports clients through offices in the United States, United Kingdom, France, Japan, China and India.

We offer a complete and easy to use software solution supporting product discovery, regulatory submissions, product quality and manufacturing & shipping. Our tools are backed by highly respected experts known for their scientific leadership and ability to help clients unlock valuable

knowledge in their data.

Leadscope Solutions An Instem Company

https://www.leadscope.com

Updated bacterial mutation statistical based and expert rulebased models for ICH M7• Fewer out-of-domains and indeterminate results• Improved performance• Larger and improved databases

New prediction models for:• Skin sensitization• Acute toxicity• Environmental toxicity

New alert finder• Automatically

identify structural alerts from your data

• Make predictions and support expert review

What’s new at Leadscope


An Instem Company

About InstemPowerful Solutions . Unique Perspective . Global Coverage

Instem is a leading supplier of IT applications and services to the early development healthcare market, delivering compelling solutions for data collection, analysis and regulatory submissions management. Instem’s advanced, best-in-class IT solutions and services help leading life science and healthcare organizations to bring life-changing products to market faster.


Instem supports clients through offices in the United States, United Kingdom, France, Japan, China and India.

We offer a complete and easy to use software solution supporting product discovery, regulatory submissions, product quality and manufacturing & shipping. Our tools are backed by highly respected experts known for their scientific leadership and ability to help clients unlock valuable knowledge in their data.


Data Mining Features• Find hidden relationships between biology and

chemistry• Store and manage knowledge

Prediction Features• Build customized training sets• Subset the data by mechanistically driven

structural classifiers• Assess and compare domains of various training

sets• Add knowledge - expert’s (alerts) or software

learned rules• Select descriptors from structural features and/

or calculated properties• Select method from PLS and PLR (partial logistic

regression)• Analyze the model domain when applying

models to new structures• OECD guideline compliant

RequirementsClientWindows 7, 8, or 10 (32bit or 64bit)2GHz processor4GB memory10GB disk space

Leadscope Predictive Data MinerData Management and Decision Support


About InstemPowerful Solutions . Unique Perspective . Global CoverageInstem is a leading supplier of IT applications and services to the early development healthcare market, delivering compelling solutions for data collection, analysis and regulatory submissions management. Instem’s advanced, best-in-class IT solutions and services help leading life science and healthcare organizations to bring life-changing products to market faster.


Instem supports clients through offices in the United States, United Kingdom,

France, Japan, China and India.

An Instem Company

Key Features• Predictive data mining features

• Build training sets and assess training set domains

• Build predictive models and define model domains

• Apply models to new structures

ServerWindows Server 2003, 2008, 2012, 2016 (64bit)Linux - Ubuntu, CentOS, or RedHat (64bit)Dual 2GHz processors100GB disk spaceOracle 8i or later


2019 Genetox Statistical QSAR Suite*Now includes Analog Database Searching

• Everything included for ICH M7 submission • Best performing validated models• Same call as Regulatory Agencies• Virtually no training, easy to use

Features - Models• Selected Models

• Bacterial Mutagenicity• Mouse Lymphoma • In Vitro Chromosome Aberrations• In Vivo Micronucleus

• Supports expert review of the results• Includes extensive database of chemicals with genetic toxicity data

Features - Software• Stand-alone product with read-only

models• Test structures entered in SMILES or

MOL/SDF formats• Batch predictions

PC RequirementsWindows 7, 8, or 10 (32bit or 64bit)2GHz processor4GB memory10GB disk space

Leadscope Model Applier ($20,000/Suite for annual company-wide license)






An Instem Company

*models built under RCA between U.S. FDA &

Leadscope


2019 Genetox Expert Alerts SuiteExpert Rule-Based System to Support ICH M7 Guideline on Impurities

• Everything included for ICH M7 submission • Best performing validated models• Same call as Regulatory Agencies• Virtually no training, easy to use

Features - Alerts• Alert knowledge base built from publicly-cited alerts and knowledge derived from

proprietary databases• Confidence score for each alert provided with each positive or negative call• Predictions only made for compounds within the domain of applicability• Provides access to citations, mechanisms, and examples

Features - Software• Stand-alone product with read-

only models• Test structures entered in

SMILES or MOL/SDF formats• Batch predictions

PC RequirementsWindows 7, 8, or 10 (32bit or 64bit)2GHz processor4GB memory10GB disk space

Leadscope Model Applier ($20,000/Suite for annual company-wide license)


An Instem Company






Features• Includes 933 chemical structures with detailed genetic toxicity test data (21,162 tests)

• Genetic toxicity information from CFSAN on the following endpoints:• bacterial mutagenesis tests• in vitro mammalian mutagenesis tests• in vitro chromosome aberration tests• in vivo chromosome aberration tests• in vivo micronucleus tests

• Access to the raw data in SD and XML file formats using the public ToxML controlled vocabulary

RequirementsA database viewer is provided and requires Windows 2000 or XP with at least a PIII 700MHz processor (or equivalent) with 256MB of RAM and 500MB of disk space

LicenseNow at leadscope.com

Food Safety Genetox Database ($250 for company-wide license)


An Instem Company





2020 Food Safety Genetox Database*

Rapidly access FDA chemical and toxicity data

Easily identify FDA reviewed analogsHigh quality genetic toxicity database from the US FDA CFSAN (Center for Food Safety and Applied Nutrition) reviews

*developed under a CRADA with U.S. FDA CFSAN



Features• Includes 10,521 drugs, drug products, biologically active substances and related

information from the following sources (compound counts):• Drugs @ FDA 2,541• FDA Orange Book 2,367• National Drug Code Directory 2,541• Physician’s Desk Reference* 1,665• NLM Medical Subject Headings 8,982

• Supplemental information from theNational Library of Medicine’s (NLM)Medical Subject Headings for• Molecular Mechanisms of

Pharmacological Action• Physiological Effects of Drugs• Therapeutic Uses

• Access to the structure files and links torelated structures• Drug products• Parent forms

RequirementsA database viewer is provided with the data and requires Windows 2000 or XP with at least a PIII 700MHz processor (or equivalent) with 256MB of RAM and 500MB of disk space

LicenseNow at leadscope.com

*The PDR citations were compiled by the FDA CDER ICSAS group.

Marketed Drugs Database ($250 for company-wide license)


An Instem Company





2020 Marketed Drugs Database*

Rapidly access historical records of FDA approved drugsHistorical marketed drug records from FDA and other Government sites including structures for drug products and parents of the active ingredients along with the therapeutic indications.

*developed under a CRADAwith U.S. FDA - CDER



an instem company leadscope solutions€¦ · leadscope.com | [email protected] information...

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