Molecular Informatics

Papers
(The H4-Index of Molecular Informatics is 18. 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 2021-08-01 to 2025-08-01.)
ArticleCitations
76
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora48
Development and Evaluation of Peptidomimetic Compounds against SARS‐CoV‐2 Spike Protein: An in silico and in vitro Study44
Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder43
A community effort in SARS‐CoV‐2 drug discovery37
Cover Picture: (Mol. Inf. 4/2022)36
Development of a Novel Pharmacophore Model Guided by the Ensemble of Waters and Small Molecule Fragments Bound to SARS‐CoV‐2 Main Protease30
Chemical Reactivity Prediction: Current Methods and Different Application Areas26
Cover Picture: (Mol. Inf. 1/2023)26
Review of the 8th autumn school in chemoinformatics25
A Descriptor Set for Quantitative Structure‐property Relationship Prediction in Biologics25
Cover Picture: (Mol. Inf. 1/2024)23
Application of automated machine learning in the identification of multi‐target‐directed ligands blocking PDE4B, PDE8A, and TRPA1 with potential use in the treatment of asthma and COPD22
Virtual screening of natural products to enhance melanogenosis22
Cumulative phylogenetic, sequence and structural analysis of Insulin superfamily proteins provide unique structure‐function insights20
Predicting the duration of action of β2‐adrenergic receptor agonists: Ligand and structure‐based approaches20
Structure‐based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural‐product‐derived IRAK‐4 Inhibitors19
Technique of Augmenting Molecular Graph Data by Perturbating Hidden Features18
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