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This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
This article is part of a Supplement: Volume 3 Supplement 1
Model-based virtual screening plays an important role in the early drug discovery stage. The outcomes of high-throughput screenings are a valuable source for machine learning algorithms to infer such models. B...
The shape diversity of 16.4 million biologically relevant molecules from the PubChem Compound database and their 1.46 billion diverse conformers was explored as a function of molecular volume.
Many computational chemistry analyses require the generation of conformers, either on-the-fly, or in advance. We present Confab, an open source command-line application for the systematic generation of low-ene...
Standard approaches to address the performance of predictive models that used common statistical measurements for the entire data set provide an overview of the average performance of the models across the ent...
So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure edit...
In our previous papers we introduced the Modular Chemical Descriptor Language (MCDL) for providing a linear representation of chemical information. A subsequent development was the MCDL Java Chemical Structure...
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