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A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data

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What this work says

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

inferredcites →https://doi.org/10.1002/3527603743.ch11openalex-snapshot
Structure Modification in Chemical Databases
inferredcites →https://doi.org/10.1006/inco.1994.1067openalex-snapshot
An Efficient Incremental Algorithm for Solving Systems of Linear Diophantine Equations
inferredcites →https://doi.org/10.1007/978-1-84800-201-2_3openalex-snapshot
Graphs and Hypergraphs
inferredcites →https://doi.org/10.1016/j.jmgm.2003.10.002openalex-snapshot
The signature molecular descriptor
inferredcites →https://doi.org/10.1016/s0167-7799(00)89015-0openalex-snapshot
Genetic algorithms in molecular recognition and design
inferredcites →https://doi.org/10.1016/s1093-3263(01)00144-9openalex-snapshot
Developing a methodology for an inverse quantitative structure-activity relationship using the signature molecular descriptor
inferredcites →https://doi.org/10.1021/ci020345wopenalex-snapshot
The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci020346oopenalex-snapshot
The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences
inferredcites →https://doi.org/10.1021/ci9002206openalex-snapshot
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data
inferredcites →https://doi.org/10.1021/jm040835aopenalex-snapshot
Derivation and Validation of Toxicophores for Mutagenicity Prediction
inferredcites →https://doi.org/10.1023/a:1010933404324openalex-snapshot
Random Forests
inferredcites →https://doi.org/10.1109/ccgrid.2001.923173openalex-snapshot
Sun Grid Engine: towards creating a compute power grid

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781118742785.ch12openalex-snapshot
CHEMOINFORMATICS AND BEYOND
inferred← citeshttps://doi.org/10.1021/ci200242copenalex-snapshot
Integrated Decision Support for Assessing Chemical Liabilities
inferred← citeshttps://doi.org/10.1021/ci3001748openalex-snapshot
Lattice Enumeration for Inverse Molecular Design Using the Signature Descriptor
inferred← citeshttps://doi.org/10.1021/ci500075qopenalex-snapshot
Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?
inferred← citeshttps://doi.org/10.1021/ci500314aopenalex-snapshot
Computational Derivation of Structural Alerts from Large Toxicology Data Sets
inferred← citeshttps://doi.org/10.1038/nrd4128openalex-snapshot
Chemical predictive modelling to improve compound quality
inferred← citeshttps://doi.org/10.1517/17425255.2012.664636openalex-snapshot
Application of advancedin silicomethods for predictive modeling and information integration
inferred← citeshttps://doi.org/10.1533/9781908818249.35openalex-snapshot
Interactive predictive toxicology with Bioclipse and OpenTox
inferred← citeshttps://doi.org/10.15835/buasvmcn-hort:4909openalex-snapshot
Tendency of Evolution Supervised by Genetic Algorithms
inferred← citeshttps://doi.org/10.2741/4233openalex-snapshot
In silico predictions of genotoxicity for aromatic amines
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