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2D-3D Migration of Large Chemical Inventories with Conformational Multiplication. Application of the Genetic Algorithm

https://doi.org/10.1021/ci0498463
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What this work says

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

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‘Dynamic’ QSAR For Semicarbazide-induced Mortality in Frog Embryos
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A Kinetic Analysis of the Conformational Flexibility of Steroid Hormones
inferredcites →https://doi.org/10.1002/(sici)1521-3838(199906)18:2<139::aid-qsar139>3.0.co;2-kopenalex-snapshot
New developments in a hazard identification algorithm for hormone receptor ligands
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Discriminant Analysis and Statistical Pattern Recognition
inferredcites →https://doi.org/10.1002/qsar.19940130308openalex-snapshot
Dynamic QSAR: A New Search for Active Conformations and Significant Stereoelectronic Indices
inferredcites →https://doi.org/10.1002/qsar.200330853openalex-snapshot
COREPA‐M: A Multi‐Dimensional Formulation of COREPA
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A Probabilistic Theory of Pattern Recognition
inferredcites →https://doi.org/10.1016/0097-8485(89)80007-5openalex-snapshot
How accurate does a force field need to be?
inferredcites →https://doi.org/10.1016/0960-0760(94)90173-2openalex-snapshot
Molecular modeling of steroidal estrogens: Novel conformations and their role in biological activity
inferredcites →https://doi.org/10.1016/s0039-128x(96)00242-5openalex-snapshot
The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site
inferredcites →https://doi.org/10.1021/ci00018a001openalex-snapshot
3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topology
inferredcites →https://doi.org/10.1021/ci990303gopenalex-snapshot
Conformational Coverage by a Genetic Algorithm
inferredcites →https://doi.org/10.1021/es00005a019openalex-snapshot
QSAR Evaluation of .alpha.-Terthienyl Phototoxicity
inferredcites →https://doi.org/10.1021/es970451sopenalex-snapshot
A Computationally-Based Hazard Identification Algorithm That Incorporates Ligand Flexibility. 1. Identification of Potential Androgen Receptor Ligands
inferredcites →https://doi.org/10.1093/toxsci/58.2.253openalex-snapshot
A Computationally Based Identification Algorithm for Estrogen Receptor Ligands: Part 1. Predicting hERalpha Binding Affinity
inferredcites →https://doi.org/10.1093/toxsci/58.2.270openalex-snapshot
A Computationally Based Identification Algorithm for Estrogen Receptor Ligands: Part 2. Evaluation of a hERalpha Binding Affinity Model
inferredcites →https://doi.org/10.1289/ehp.961041302openalex-snapshot
A QSAR Evaluation of Ah Receptor Binding of Halogenated Aromatic Xenobiotics
inferredcites →https://doi.org/10.1289/ehp.961041309openalex-snapshot
Benzene-Induced Chromosome Aberrations: A Follow-Up Study

What points at this work

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

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Application of Virtual Reality as a Tool for Structural Analysis of Molecules – Steroids, Pharmaceuticals and Pesticides
inferred← citeshttps://doi.org/10.1007/978-3-642-27737-5_136-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comtox.2021.100154openalex-snapshot
Criteria for assessing the reliability of the predictions: II. CATALOGIC BOD and BCF base-line models
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.09.007openalex-snapshot
Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program
inferred← citeshttps://doi.org/10.1021/ci060016uopenalex-snapshot
Chemoinformatics: Past, Present, and Future†
inferred← citeshttps://doi.org/10.1021/ci060142yopenalex-snapshot
Representation of Chemical Information in OASIS Centralized 3D Database for Existing Chemicals
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Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm
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POP s : A QSAR System for Developing Categories for Persistent, Bioacculative and Toxic Chemicals and their Metabolites
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inferred← citeshttps://doi.org/10.1080/10629360802348803openalex-snapshot
Mode of action-based classification and prediction of activity of uncouplers for the screening of chemical inventories
inferred← citeshttps://doi.org/10.1080/10659360500474623openalex-snapshot
Base-line model for identifying the bioaccumulation potential of chemicals
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The Influence of in Vitro Gill and Liver Metabolism of Xenobiotics on Fish Bioconcentration
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Workgroup Report: Review of Fish Bioaccumulation Databases Used to Identify Persistent, Bioaccumulative, Toxic Substances
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Comparison of the applicability domain of a quantitative structure-activity relationship for estrogenicity with a large chemical inventory
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