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 2021-06-01 to 2025-06-01.)
ArticleCitations
Cover Picture: (Mol. Inf. 6/2021)75
Cover Picture: (Mol. Inf. 1/2023)46
Development of a Novel Pharmacophore Model Guided by the Ensemble of Waters and Small Molecule Fragments Bound to SARS‐CoV‐2 Main Protease40
Cover Picture: (Mol. Inf. 4/2022)35
33
Chemical Reactivity Prediction: Current Methods and Different Application Areas32
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora29
Development and Evaluation of Peptidomimetic Compounds against SARS‐CoV‐2 Spike Protein: An in silico and in vitro Study26
Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder22
A community effort in SARS‐CoV‐2 drug discovery22
Cover Picture: (Mol. Inf. 1/2024)20
A Descriptor Set for Quantitative Structure‐property Relationship Prediction in Biologics20
Review of the 8th autumn school in chemoinformatics20
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 COPD19
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 Features19
Virtual screening of natural products to enhance melanogenosis19
Cumulative phylogenetic, sequence and structural analysis of Insulin superfamily proteins provide unique structure‐function insights19
Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns18
Identification of Trovafloxacin, Ozanimod, and Ozenoxacin as Potent c‐Myc G‐Quadruplex Stabilizers to Suppress c‐Myc Transcription and Myeloma Growth18
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