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Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Rapid Quantification of Molecular Diversity for Selective Database Acquisition
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Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
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Comparison of chemical databases: Analysis of molecular diversity with Self Organising Maps (SOM)
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Graph theory and molecular orbitals. XII. Acyclic polyenes
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IEEE 1988 International Conference on Neural Networks
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Software for chemical diversity in the context of accelerated drug discovery
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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ChemInform Abstract: Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.
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Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset
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Validation of QSAR Models
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AIMSim: An Accessible Cheminformatics Platform for Similarity Operations on Chemicals Datasets
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Machine Learning in Materials Chemistry: An Invitation
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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
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Rational selection of training and test sets for the development of validated QSAR models
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MTD-PLS and docking study for a series of substituted 2-phenylindole derivatives with oestrogenic activity
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Novel Insight into the Structural Requirements of P70S6K Inhibition Using Group-based Quantitative Structure Activity Relationship (GQSAR)
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