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Molecular Informatics|June 25, 2021
NP Navigator: A New Look at the Natural Product Chemical SpaceYuliana Zabolotna, Peter Ertl, Dragos Horvath, et al.
Molecular Informatics|June 6, 2022
Identifying Chirality in Line Drawings of Molecules Using Imbalanced Dataset Sampler for a Multilabel Classification TaskYong En Kok, Simon Woodward, Ender Özcan, et al.
Molecular Informatics|December 18, 2022
Automated detection of toxicophores and prediction of mutagenicity using PMCSFG algorithmLeander Schietgat, Bertrand Cuissart, Kurt De Grave, et al.
Molecular Informatics|September 21, 2020
Peptidomimetics in SilicoCristina Tomasella, Matteo Floris, Salvatore Guccione, et al.
Molecular Informatics|September 28, 2020
Dynamic Classification for Materials-Informatics: Mining the Solar Cell SpaceAbraham Yosipof, Anna Khalemsky, Roy Gelbard, et al.
Molecular Informatics|December 4, 2020
Ligand-based Discovery of Novel Small Molecule Inhibitors of RON Receptor Tyrosine KinaseOmid Zarei, Najme Faham, Hariprasad Vankayalapati, et al.
Molecular Informatics|October 17, 2020
HDAC3i-Finder: A Machine Learning-based Computational Tool to Screen for HDAC3 InhibitorsShan Li, Yu Ding, Miaomiao Chen, et al.
Molecular Informatics|July 5, 2022
Towards an Enrichment Optimization Algorithm (EOA)-based Target Specific Docking Functions for Virtual ScreeningJacob Spiegel, Hanoch Senderowitz
Molecular Informatics|November 30, 2020
Cheminformatics Analysis of Fluoroquinolones and their Inhibition Potency Against Four PathogensAlexandre Borrel, Christian Melander, Denis Fourches
Molecular Informatics|December 22, 2016
Prediction of hERG Liability - Using SVM Classification, Bootstrapping and JackknifingHongmao Sun, Ruili Huang, Menghang Xia, et al.
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