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Molecular Informatics|August 3, 2019
Investigation of Factors Affecting the Performance of in silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & MonkeySaw Simeon, Dino Montanari, Matthew Paul GleesonMolecular Informatics|September 11, 2019
Property Prediction of Organic Donor Molecules for Photovoltaic Applications Using Extremely Randomized TreesArindam Paul, Alona Furmanchuk, Wei-Keng Liao, et al.Molecular Informatics|April 20, 2017
Generative Topographic Mapping of Conformational SpaceDragos Horvath, Igor Baskin, Gilles Marcou, et al.Molecular Informatics|September 8, 2022
Overlap of On-demand Ultra-large Combinatorial Spaces with On-the-shelf Drug-like LibrariesMariana Perebyinis, Didier RognanMolecular Informatics|October 16, 2024
Review of the 8th autumn school in chemoinformaticsJohann GasteigerMolecular Informatics|October 15, 2024
Chemoinformatics for corrosion science: Data-driven modeling of corrosion inhibition by organic moleculesIgor Baskin, Yair Ein-EliMolecular Informatics|October 18, 2024
GCLmf: A Novel Molecular Graph Contrastive Learning Framework Based on Hard Negatives and Application in Toxicity PredictionXinxin Yu, Yuanting Chen, Long Chen, et al.Molecular Informatics|February 18, 2025
An Attempt to Classify Elementary Reactions on the Basis of TS MotifsKenji Hori, Yujiro Matsuo, Toru Yamaguchi, et al.Molecular Informatics|February 11, 2025
Prediction of the Appropriate Temperature and Pressure for Polymer Dissolution Using Machine Learning ModelsDorsa Dadashi, Marjan Kaedi, Parsa Dadashi, et al.Molecular Informatics|February 11, 2025
MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure-Multiple Activity Relationships in the Chemical UniverseJ Israel Espinoza-Castañeda, José L Medina-FrancoPageof 102