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Molecular Informatics|October 13, 2023
A community effort in SARS-CoV-2 drug discoveryJohannes Schimunek, Philipp Seidl, Katarina Elez, et al.Molecular Informatics|May 11, 2026
Novel Molecules Generation Using Graph Generative Adversarial NetworksAmodini A P, Chandra Mohan Dasari, Santhosh AmilpurMolecular Informatics|April 22, 2026
Machine Learning Models Predicting Solubility and Polymerizability of Polyimides Considering Multiple Monomers for CO2 Separation MembranesYuto Shino, Motosuke Katayama, Yuri Ito, et al.Molecular Informatics|April 13, 2017
Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic PeroxidesVinca Prana, Patricia Rotureau, David André, et al.Molecular Informatics|July 28, 2026
To What Extent Can We Extrapolate Proteochemometric Models: A Case Study for the SLC6 Transporter FamilyUday Abu-Shehab, Gerhard EckerMolecular Informatics|August 10, 2026
Geometric Deep Learning-Based Drug Design Models for Small-Molecule Drug DiscoveryAmit Kumar Srivastav, Unnati Modi, Rahul Kumar, et al.Molecular Informatics|August 23, 2026
Boosting the Prediction Accuracy of Glass Transition Temperature in Polyimides: A Hybrid Machine Learning Approach Integrating Morgan Fingerprints and Molecular DescriptorsPeishuai Xing, Xiaodong Guo, Yang Wang, et al.Molecular Informatics|August 27, 2026
Mixture-Quantitative Structure-Property Relationship Approaches for Jet Fuel-Component Blends: A ReviewErik Yeghyan, Benoit Creton, Mickaël Matrat, et al.Molecular Informatics|September 29, 2026
Property-Conditioned Transformer Language Model for De Novo Molecular Generation Using Self-Referencing Embedded StringsAshish Patel, Rajesh A Maheshwari, Atul Patel, et al.Molecular Informatics|October 5, 2026
LigGen: A Tool for Predicting Water Positions in ProteinsAleksey ShustikovPageof 102