Collaborative Drug Discovery

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Introduction

Collaborative Drug Discovery (CDD), created by Collaborative Drug Discovery, Inc., is a subscription-based web application that allows users to manage and analyze experimental data, search openly available drug data, and share data securely.[1][2] Data management and analysis functions of CDD include:[3]

  • Access data through a web-based interface that automatically hyperlinks disparate data together to reveal structure-activity relationships.
  • Upload structured data (CSV, Excel, and SD files) or unstructured data (Word, JPEG, GIF, TIFF, PDF) into your group’s private data vault.
  • The database’s optional registration system generates unique identifiers, checks for uniqueness, manages salts and calculates chemical properties.
  • The database understands typical enzyme, cell, and animal bioactivity data as well as PK/PD/ADME/Tox data.
  • Define preclinical SAR templates with any relationship or any other data type or view.
  • CDD Vault maps and batch imports high-throughput enzyme inhibition and high content cell protocols.
  • CDD Vault is securely hosted "in the cloud."
  • Enter chemical structures and biological activity data separately, and the results will correlate automatically via common structure names or other unique identifiers you specify.
  • Search by chemical substructure, chemical similarity, keyword, or attribute: including bioactivity, potency and selectivity data, structure-activity relationships, pattern recognition, Boolean searches, modeling, etc.
  • Assess Lipinski’s Rules and standard physical-chemical properties – calculated automatically for all compounds.
  • View, edit or compose chemical structures in 2D or 3D. ChemAxon’s Marvin Java applets are built-in.
  • Visualize plate data through heatmaps and control layouts.
  • Analyze dose-response data. The database automatically fits and graphs curves while giving you the control to flag outliers and fix parameters.
  • Export and customize data in standard formats.

Users share data in a secure manner by designating who can access certain subsets of data in the CDD Vault and sharing data sets directly through the web-based interface with selected collaborators.[4] Users also can join communities organized around therapeutic or target areas or create their own drug discovery networks (open, semi-private, or private).[4]

Finaly, users can search through a variety of public access data sources (listed on the CDD website), which are integrated and searchable in the CDD Vault for subscribing users.[5] Non-subscribing users can register to create a free account to search this Public Access Data.[5]

Through the free account, users can search through 78 public data sets. The user can limit the search to particular data sets, search by protocol, search by structure (structure or substructure), search by molecule keywords, and search by chemical properties. Users can also keyword search within all available fields for Molecules, Protocols, Plates, or References. A tab displays all saved searches, which can be re-run to produce a new results list.

Sources

  1. "Collaborative Drug Discovery." CDD website, https://www.collaborativedrug.com/. Accessed September 20. 2011.
  2. "CDD Vault Overview." CDD website, https://www.collaborativedrug.com/pages/product_info. Accessed September 20, 2011.
  3. "State of the Art Data Management." CDD website, https://www.collaborativedrug.com/pages/database. Accessed September 20, 2011
  4. 4.0 4.1 "Redefine Collaboration." CDD website, https://www.collaborativedrug.com/pages/collaboration. Accessed September 20, 2011.
  5. 5.0 5.1 "CDD Public." CDD website, https://www.collaborativedrug.com/pages/public_access. Accessed September 20, 2011.

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