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Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity-Specific Fragment Hierarchies

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
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Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations
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SMIREP: Predicting Chemical Activity from SMILES
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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity‐Specific Fragment Hierarchies.
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Similarity Searching using Compound Class‐Specific Combinations of Substructures Found in Randomly Generated Molecular Fragment Populations
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Scaffold Distributions in Bioactive Molecules, Clinical Trials Compounds, and Drugs
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Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
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Disease‐Specific Differentiation Between Drugs and Non‐Drugs Using Principal Component Analysis of Their Molecular Descriptor Space
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Computational Fragment-Based Drug Design
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Distribution of randomly generated activity class characteristic substructures in diverse active and database compounds
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Drug/nondrug classification using Support Vector Machines with various feature selection strategies
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Derisking Future Agrochemicals before They Are Made: Large-Scale In Vitro Screening for In Silico Modeling of Thyroid Peroxidase Inhibition
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Lessons Learned from Molecular Scaffold Analysis
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Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges
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Core Trees and Consensus Fragment Sequences for Molecular Representation and Similarity Analysis
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Topological Fragment Index for the Analysis of Molecular Substructures and Their Topological Environment in Active Compounds
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Fragment-based De Novo Design of Drug-like Molecules
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RelACCS‐FP: A Structural Minimalist Approach to Fingerprint Design
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Random molecular substructures as fragment-type descriptors
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Privileged Structures - Dream or Reality: Preferential Organization of Azanaphthalene Scaffold
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