Nadine Schneider

Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists’ Bread and Butter

Nadine Schneider, Daniel M. Lowe, Roger A. Sayle et al. · Journal of Medicinal Chemistry · 2016 · 431 citations

A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

Nadine Schneider, Gudrun Lange, Sally Hindle et al. · Journal of Computer-Aided Molecular Design · 2012 · 291 citations

Hyde Scoring Function, Biochemistry, Natural Sciences +6

What’s What: The (Nearly) Definitive Guide to Reaction Role Assignment

Nadine Schneider, Nikolaus Stiefl, Gregory A. Landrum · Journal of Chemical Information and Modeling · 2016 · 209 citations

Engineering, Machine Learning, Chemical Analysis +22

Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity

Nadine Schneider, Daniel M. Lowe, Roger A. Sayle et al. · Journal of Chemical Information and Modeling · 2014 · 207 citations

Engineering, Machine Learning, Chemical Analysis +30

GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning

Carmen Esposito, Gregory A. Landrum, Nadine Schneider et al. · Journal of Chemical Information and Modeling · 2021 · 162 citations · Full text