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Accurate Partitioning of Compounds Belonging to Diverse Activity Classes
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/s1093-3263(00)00068-1openalex-snapshot
A widely applicable set of descriptors
inferredcites →https://doi.org/10.1016/s1093-3263(99)00016-9openalex-snapshot
Binning schemes for partition-based compound selection
inferredcites →https://doi.org/10.1021/ci00008a012openalex-snapshot
Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds
inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot
Clustering of chemical structures on the basis of two-dimensional similarity measures
inferredcites →https://doi.org/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferredcites →https://doi.org/10.1021/ci00051a006openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
inferredcites →https://doi.org/10.1021/ci960151eopenalex-snapshot
Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
inferredcites →https://doi.org/10.1021/ci960373copenalex-snapshot
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
inferredcites →https://doi.org/10.1021/ci980138popenalex-snapshot
Design and Diversity Analysis of Large Combinatorial Libraries Using Cell-Based Methods
inferredcites →https://doi.org/10.1021/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1126/science.8346439openalex-snapshot
Genetic Algorithms: Principles of Natural Selection Applied to Computation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470571224.pse004openalex-snapshot
Molecular Similarity Methods and QSAR Models As Tools for Virtual Screening
inferred← citeshttps://doi.org/10.1002/chin.200236241openalex-snapshot
ChemInform Abstract: Accurate Partitioning of Compounds Belonging to Diverse Activity Classes.
inferred← citeshttps://doi.org/10.1002/cmdc.200700090openalex-snapshot
Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints
inferred← citeshttps://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferred← citeshttps://doi.org/10.1002/sam.10035openalex-snapshot
Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling
inferred← citeshttps://doi.org/10.1007/978-1-60327-429-6_17openalex-snapshot
Molecular Similarity Concepts and Search Calculations
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.04.005openalex-snapshot
2D QSAR of PPARγ agonist binding and transactivation
inferred← citeshttps://doi.org/10.1016/s1093-3263(02)00187-0openalex-snapshot
Prediction of dihydrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis
inferred← citeshttps://doi.org/10.1021/ci030285+openalex-snapshot
Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme
inferred← citeshttps://doi.org/10.1021/ci800106eopenalex-snapshot
Design and Exploration of Target-Selective Chemical Space Representations
inferred← citeshttps://doi.org/10.1021/ci900087yopenalex-snapshot
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback−Leibler Divergence Analysis
inferred← citeshttps://doi.org/10.1039/9781849737203-00172openalex-snapshot
High throughput technology: approaches of research in homogeneous and heterogeneous catalysis
inferred← citeshttps://doi.org/10.1080/00401706.2012.760489openalex-snapshot
Analysis of High-Dimensional Structure-Activity Screening Datasets Using the Optimal Bit String Tree
inferred← citeshttps://doi.org/10.1080/1062936021000058764openalex-snapshot
Mini-fingerprints for virtual screening: Design principles and generation of novel prototypes based on information theory
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00579.xopenalex-snapshot
A Similarity‐based Data‐fusion Approach to the Visual Characterization and Comparison of Compound Databases
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00930.xopenalex-snapshot
Reduction and Recombination of Fingerprints of Different Design Increase Compound Recall and the Structural Diversity of Hits
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:291openalex-snapshot
Partitioning in Binary-Transformed Chemical Descriptor Spaces
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