Bernhard Rohde
Novartis (Switzerland)
1 paper in the Anchorcite directory, published in 2000, cited 3,114 times in total.
Research topics
- Computational Drug Discovery Methods · 1 paper
- Analytical Chemistry and Chromatography · 1 paper
- Chemical Synthesis and Analysis · 1 paper
Frequent co-authors
- Peter Ertl · 1 paper
- Paul M. Selzer · 1 paper
Papers
- Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport PropertiesJournal of Medicinal Chemistry · 2000 · 3,114 citations
Molecular polar surface area (PSA), i.e., surface belonging to polar atoms, is a descriptor that was shown to correlate well with passive molecular transport through membranes and, therefore, allows prediction of transport properties of drugs. The calculation of PSA, however,…
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