About the Authors

Saber A. Akhondi

Affiliation Department of Medical Informatics, Erasmus University Medical Centre, Rotterdam, The Netherlands

Alexander G. Klenner

Current address: European Patent Office, Rijswijk, The Netherlands

Affiliation Fraunhofer-Institute for Algorithms and Scientific Computing (SCAI), Fraunhofer-Gesellschaft, Sankt Augustin, Germany

Christian Tyrchan

Affiliation RIA Medicinal Chemistry, AstraZeneca R&D Mölndal, Mölndal, Sweden

Anil K. Manchala

Affiliation GVK Biosciences Private Limited, Hyderabad, India

Kiran Boppana

Affiliation GVK Biosciences Private Limited, Hyderabad, India

Daniel Lowe

Affiliation NextMove Software Ltd, Cambridge, England

Marc Zimmermann

Affiliation Fraunhofer-Institute for Algorithms and Scientific Computing (SCAI), Fraunhofer-Gesellschaft, Sankt Augustin, Germany

Sarma A. R. P. Jagarlapudi

Affiliation GVK Biosciences Private Limited, Hyderabad, India

Roger Sayle

Affiliation NextMove Software Ltd, Cambridge, England

Jan A. Kors

j.kors@erasmusmc.nl (JAK); sorel.muresan@gmail.com (SM)

Affiliation Department of Medical Informatics, Erasmus University Medical Centre, Rotterdam, The Netherlands

Sorel Muresan

j.kors@erasmusmc.nl (JAK); sorel.muresan@gmail.com (SM)

Current address: AkzoNobel Surface Chemistry AB, Stenungsund, Sweden

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

Competing Interests

AstraZeneca is a global biopharmaceutical company specialising in the discovery, development, manufacturing and marketing of prescription medicines. At the time of the study SM and CT were affiliated to AstraZeneca. NextMove Software Ltd. develops and sells commercial software for text mining. RS and DL were affiliated to NextMove Software Ltd. GVK Biosciences Private Limited is a discovery research and development organization. GVK BIO provides services across the R&D and manufacturing value chain. SARPJ, AKM and KB were affiliated to GVK BIO. The authors confirm that the above statement does not alter their adherence to all PLOS ONE policies on sharing data and materials, as detailed online in guide for authors.

Author Contributions

Conceived and designed the experiments: SAA AGK CT MZ JAK SM. Performed the experiments: SAA AGK CT AKM KB DL MZ SARPJ RS SM. Analyzed the data: SAA CT JAK SM. Wrote the paper: SAA JAK SM.