output
20192026
most citedModels Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

33 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions

6 papers

cs.LG2026

De novo molecular structure elucidation from mass spectra via flow matching

Ghaith Mqawass, Tuan Le, Fabian Theis +1

Mass spectrometry is a powerful and widely used tool for identifying molecular structures due to its sensitivity and ability to profile complex samples. However, translating spectr…

cs.AI2023★ 33 cited

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden +4

Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the go…

q-bio.QM2021★ 1 cited

Automating LC-MS/MS mass chromatogram quantification. Wavelet transform based peak detection and automated estimation of peak boundaries and signal-to-noise ratio using signal processing methods

Florian Rupprecht, Sören Enge, Kornelius Schmidt +3

While there are many different methods for peak detection, no automatic methods for marking peak boundaries to calculate area under the curve (AUC) and signal-to-noise ratio (SNR)…

stat.AP2020★ 28 cited

Survival analysis for AdVerse events with VarYing follow-up times (SAVVY) -- estimation of adverse event risks

Regina Stegherr, Claudia Schmoor, Jan Beyersmann +12

The SAVVY project aims to improve the analyses of adverse event (AE) data in clinical trials through the use of survival techniques appropriately dealing with varying follow-up tim…

stat.AP2020★ 4 cited

Survival analysis for AdVerse events with VarYing follow-up times (SAVVY) -- comparison of adverse event risks in randomized controlled trials

Kaspar Rufibach, Regina Stegherr, Claudia Schmoor +12

Analyses of adverse events (AEs) are an important aspect of the evaluation of experimental therapies. The SAVVY (Survival analysis for AdVerse events with Varying follow-up times)…

stat.AP2019★ 31 cited

Survival analysis for AdVerse events with VarYing follow-up times (SAVVY): Rationale and statistical concept of a meta-analytic study

Regina Stegherr, Jan Beyersmann, Valentine Jehl +4

The assessment of safety is an important aspect of the evaluation of new therapies in clinical trials, with analyses of adverse events being an essential part of this. Standard met…