About the Authors

Christopher Southan

Affiliation TW2Informatics, Göteborg, Sweden

Peter Varkonyi

Affiliation Discovery Sciences, Chemistry Innovation Centre, AstraZeneca R&D Mölndal, Mölndal, Sweden

Kiran Boppana

Affiliation GVK Biosciences Pvt. Ltd., Hyderabad, India

Sarma A.R.P. Jagarlapudi

Affiliation GVK Biosciences Pvt. Ltd., Hyderabad, India

Sorel Muresan

sorel.muresan@gmail.com

Affiliations Discovery Sciences, Chemistry Innovation Centre, AstraZeneca R&D Mölndal, Mölndal, Sweden, Food Control Department, Banat's University of Agricultural Sciences and Veterinary Medicine, Timisoara, Romania

Competing Interests

The authors have the following interests: Christopher Southan is employed by TW2Informatics, Peter Varkonyi and Sorel Muresan by AstraZeneca R&D, and Kiran Boppana and Sarma A.R.P. Jagarlapudi by GVK Biosciences Pvt. Ltd. There are no patents, products in development or marketed products to declare. This does not alter their adherence to all the PLOS ONE policies on sharing data and materials, as detailed online in the guide for authors.

Author Contributions

Conceived and designed the experiments: CS SM SARPJ. Performed the experiments: KB PV. Analyzed the data: CS SM. Wrote the paper: CS SM. Managed the development of the databases that facilitated the analysis: SARPJ. Approved the final manuscript: CS SM SARPJ KB PV.