Molecular Informatics

Papers
(The H4-Index of Molecular Informatics is 14. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-02-01 to 2025-02-01.)
ArticleCitations
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism62
34
Cover Picture: (Mol. Inf. 6/2021)28
Active learning approaches in molecule pKi prediction26
Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers26
MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks26
The Relevance of Goodness‐of‐fit, Robustness and Prediction Validation Categories of OECD‐QSAR Principles with Respect to Sample Size and Model Type21
Cover Picture: (Mol. Inf. 1/2022)20
Chemical Reactivity Prediction: Current Methods and Different Application Areas19
Cover Picture: (Mol. Inf. 2/2022)19
Extensive Molecular Dynamics Simulations Disclosed the Stability of mPGES‐1 Enzyme and the Structural Role of Glutathione (GSH) Cofactor17
Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation16
15
Structural Fractal Analysis of the Active Site of Acetylcholinesterase in Complexes with Huperzine A, Galantamine, and Donepezil14
14
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