Molecular Informatics Best Paper Award

The prize was initiated in 2012 and is awarded to the authors of an original research article published in a given year. The Editors of Molecular Informatics make their choice by taking into account diverse criteria such as scientific impact, novelty, originality, and online usage of the corresponding article.


The winners and their award-winning papers are…

2016
Alexandre Varnek
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules
Mol. Inf. 2016, 35(2), 70-80.

2015
Bin Liu
PseDNA-Pro: DNA-Binding Protein Identification by Combining Chou’s PseAAC and Physicochemical Distance Transformation
Mol. Inf. 2015, 34(1), 8-17.

2014
Shigehiko Kanaya and Tsuyoshi Shirai
Clustering of 3D-Structure Similarity Based Network of Secondary Metabolites Reveals Their Relationships with Biological Activities
Mol. Inf. 2014, 33(11-12), 780-801.

2013
Daniel Muthas* and Scott Boyer
Exploiting Pharmacological Similarity to Identify Safety Concerns – Listen to What the Data Tells You
Mol. Inf. 2013, 32(1), 37-45.

2012
Xiangyun Wang and Nigel Greene*
Comparing Measures of Promiscuity and Exploring Their Relationship to Toxicity
Mol. Inf. 2012, 31(2), 145-159.