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Prediction of Synthetic Accessibility Based on Commercially Available Compound Databases

https://doi.org/10.1021/ci500568d
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What this work says

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

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SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility
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Structure and reaction based evaluation of synthetic accessibility
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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RASA: A Rapid Retrosynthesis-Based Scoring Method for the Assessment of Synthetic Accessibility of Drug-like Molecules
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ZINC: A Free Tool to Discover Chemistry for Biology
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Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods
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RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
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The first general index of molecular complexity
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Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds
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The Filling Potential Method: A Method for Estimating the Free Energy Surface for Protein−Ligand Docking
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Computer-based de novo design of drug-like molecules
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PubChem: a public information system for analyzing bioactivities of small molecules
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ChEMBL: a large-scale bioactivity database for drug discovery
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KEGG for integration and interpretation of large-scale molecular data sets
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DrugBank 4.0: shedding new light on drug metabolism
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Computer-Assisted Design of Complex Organic Syntheses
inferredcites →https://doi.org/10.1186/1758-2946-1-8openalex-snapshot
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
inferredcites →https://doi.org/10.2142/biophysics.9.113openalex-snapshot
LigandBox: A database for 3D structures of chemical compounds
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Predicting Synthetic Accessibility: Application in Drug Discovery and Development
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Advanced in-silico drug screening to achieve high hit ratio

What points at this work

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Additional file 2 of Profiling and analysis of chemical compounds using pointwise mutual information
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Additional file 1 of Antiplasmodial potential of isolated xanthones from Mesua ferrea Linn. roots: an in vitro and in silico molecular docking and pharmacokinetics study
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Additional file 1 of Estimating the synthetic accessibility of molecules with building block and reaction-aware SAScore
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