Biomedical Engineering Reference
In-Depth Information
24
COLLABORATIVE
CHEMINFORMATICS
APPLICATIONS
RAJARSHI GUHA , OLA SPJUTH , AND EGON WILLIGHAGEN
24.1
Introduction 399
24.2
Collaborative Code Development 400
24.2.1
Licensing 401
24.2.2
Peer Review 402
24.3
Collaborative Knowledge Bases 402
24.3.1
Data Standardization and Interoperability 405
24.3.2
Linking Knowledge Bases 406
24.4
Collaborative Computing 408
24.4.1
Shared Computing Services 409
24.4.2
Sharing Computation Specifi cations 411
24.4.3
Online Cheminformatics Computation 411
24.5
Managing Collaborative Projects 413
24.6
Conclusion 417
References 417
24.1
INTRODUCTION
Cheminformatics is the science of chemical data and computation. The origin
of the data is generally from the wet laboratory, thereby making collaboration
an intrinsic part of cheminformatics: Data aggregation, preprocessing, and
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