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Molecular Informatics|July 21, 2025
Rapid Assessment of Virtually Synthesizable Chemical Structures via Support Vector Machine ModelsYuto Iwasaki, Tomoyuki Miyao
Molecular Informatics|July 14, 2025
Neural Network Models for Prediction of Biological Activity using Molecular Dynamics Data: A Case of Photoswitchable PeptidesAnton Cherednichenko, Sergii Afonin, Oleg Babii, et al.
Molecular Informatics|August 5, 2025
Integrating Generative Pretrained Transformer and Genetic Algorithms for Efficient and Diverse Molecular GenerationChengcheng Xu, Chen Zeng, Xi Yang, et al.
Molecular Informatics|September 11, 2025
Ligand B-Factor Index: A Metric for Prioritizing Protein-Ligand Complexes in DockingLiliana Halip, Cristian Neanu, Sorin Avram
Molecular Informatics|February 12, 2026
Infrared Spectral Descriptors for Reaction Yield Prediction: Toward Redefining Experimental SpacesYuya Endo, Hiromasa Kaneko
Molecular Informatics|February 10, 2023
Discovery of natural-derived Mpro inhibitors as therapeutic candidates for COVID-19: Structure-based pharmacophore screening combined with QSAR analysisMohammad A Khanfar, Nada Salaas, Reem Abumostafa
Molecular Informatics|February 15, 2026
DeepMoDRP: A Multi-Omics-Based Deep Learning Framework for Drug Response Prediction in Brain CancerYuxuan Li, Xiumin Shi, Lu Wang, et al.
Molecular Informatics|February 15, 2026
Read-Across Structure-Property Relationship-Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum DescriptorsIndrasis Dasgupta, Samima Khatun, Shovanlal Gayen
Molecular Informatics|January 28, 2026
11th National Conference of the French Chemoinformatics Society (SFCi)Alban Lepailleur, Ronan Bureau
Molecular Informatics|February 4, 2026
MetaStab-Analyzer: Classification and Regression Models for Metabolic Stability PredictionAnastasia Rudik, Leonid Stolbov, Alexey Lagunin, et al.
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