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https://doi.org/10.12688/f1000research.3713.1
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Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer
[version 1; peer review: 3 approved]
Ye Hu, Jürgen Bajorath
Peer Reviewers Ajay Jain; Chris J. Swain; Patrick Walters
PUBLISHED 11 Mar 2014
https://doi.org/10.12688/f1000research.6661.1
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Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry
[version 1; peer review: 3 approved]
Ye Hu, Norbert Furtmann, Dagmar Stumpfe, Jürgen Bajorath
Peer Reviewers Alexandre Varnek; Veer Shanmugasundaram; Gerhard Müller
PUBLISHED 25 Jun 2015
https://doi.org/10.12688/f1000research.3-36.v2
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Revised
Matched molecular pair-based data sets for computer-aided medicinal chemistry
[version 2; peer review: 4 approved]
Ye Hu, Antonio de la Vega de León, Bijun Zhang, Jürgen Bajorath
Peer Reviewers Ajay Jain; Peter Ertl; Patrick Walters; Shana Posy
LATEST VERSION PUBLISHED 21 Feb 2014
https://doi.org/10.12688/f1000research.1-11.v1
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Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications
[version 1; peer review: 2 approved]
Ye Hu, Jürgen Bajorath
Peer Reviewers Patrick Walters; Michael K. Gilson
PUBLISHED 14 Aug 2012
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