Cdd collaborative molecular registration and sar database

Preview:

DESCRIPTION

The CDD Vault is a 1) Lightweight Solution for Chemical Registration & SAR for budget sensitive labs that is also2) Collaborative to Scale

Citation preview

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc. Copyright © 2011 All Rights Reserved Collaborative Drug Discovery

Barry Bunin, Ph.D.

CEO and President

Collaborative Drug Discovery, Burlingame, CA.

www.collaborativedrug.com

A Web-Based Collaborative Drug Discovery Platform

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

• Users: 21,197 unique logins last year (scalable in the cloud)

• Interoperability/Standards: csv/SMILES, sdfiles, PubMed, ChemSpider-Pubchem, REST Based Architecture for APIs

• Employing technology to facilitate partnerships: both pre- and post-IP agreements supported

• Expanding the precompetitive space: the key is supporting traditional (IP sensitive), collaborative (pre-IP), and open (post-IP) – all these are real use cases

Copyright © 2011 All Rights Reserved Collaborative Drug Discovery

CDD for Private, Collaborative, & Public Research

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD Platform For Collaborating with IP Sensitive SAR Data

Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

Data Partitioning for Multiple Collaborations

Collaborator 1 Collaborator 2 Collaborator 4Collaborator 3

Consolidated

CDD DB

Project A Project D

Pro

ject B

Company A

Project C

Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

Copyright © 2011 All Rights Reserved Collaborative Drug Discovery

Collaborative Capabilities for Efficient International Drug Discovery

Individual Pain Points Organizational Need Technical Solution

Keep scientist’s data

private until ready to

share (i.e. with the rest of

their groups)

Collaboration is as much

about more efficient work

within a single

organization as between

organizations.

Temporal data access

controls

Allow scientists to

partition or sequester data

to enable selective data

sharing

Control of chemical or

biological data access

based on Project-specific

permissions

Spatial data partitioning

Allow collaboration in

scientist’s natural

workflow (i.e. without

uploading data multiple

times in multiple places)

Control based on type of

data – especially given a

marketplace with

specialization in

synthesis, screening,

discovery, development

Sequester by data

classification

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

User Roles and Privileges in CDD

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD Convenient Mining & Export Options

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD Configurable IC50 Dose Response Capabilities

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD database system

• Web based (log in securely into to your database from any computer).

• We host the server for you

• Highly secure, all traffic encrypted, server in a secure professionally hosted environment.

Secure and Low TCO (Total Cost of Ownership)

Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD Drug Repurposing 2009 Case Study #1

Result

New leads reveal known

drugs that reverse

chloroquine resistance

Archive, Mine, Collaborate © 2009 Collaborative Drug Discovery, Inc.

CDD 2011 EU PPP Case Study #2

Recommended