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Advanced Exact Structure Searching in Large Databases of Chemical Compounds

https://doi.org/10.1021/ci025582d
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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/bbpc.19981020308openalex-snapshot
Observation of thermal tautomerism of thermochromic salicylideneaniline derivatives in the solid state by 15N CPMAS NMR down to cryogenic temperatures
inferredcites →https://doi.org/10.1021/ci000039nopenalex-snapshot
CheD: Chemical Database Compilation Tool, Internet Server, and Client for SQL Servers
inferredcites →https://doi.org/10.1021/ci0100649openalex-snapshot
New Diversity Calculations Algorithms Used for Compound Selection
inferredcites →https://doi.org/10.1021/ci60021a007openalex-snapshot
The Chemical Abstracts Service Chemical Registry System. VII. Tautomerism and Alternating Bonds
inferredcites →https://doi.org/10.3987/com-00-s(i)9openalex-snapshot
Solvent Effects on Relative Stability of Meridine and Its Tautomer: MO Calculations

What points at this work

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

inferred← citeshttps://doi.org/10.1002/chin.200334220openalex-snapshot
Advanced Exact Structure Searching in Large Databases of Chemical Compounds.
inferred← citeshttps://doi.org/10.1002/minf.201200133openalex-snapshot
Ambit‐Tautomer: An Open Source Tool for Tautomer Generation
inferred← citeshttps://doi.org/10.1007/s00044-013-0776-0openalex-snapshot
Does tautomerism influence the outcome of QSAR modeling?
inferred← citeshttps://doi.org/10.1007/s10822-010-9329-5openalex-snapshot
So you think you understand tautomerism?
inferred← citeshttps://doi.org/10.1007/s10822-010-9338-4openalex-snapshot
Tautomerism in chemical information management systems
inferred← citeshttps://doi.org/10.1007/s10822-010-9346-4openalex-snapshot
Tautomerism in large databases
inferred← citeshttps://doi.org/10.1007/s10822-018-0101-6openalex-snapshot
Assessment of tautomer distribution using the condensed reaction graph approach
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00017-5openalex-snapshot
Virtual Libraries for Docking Methods: Guidelines for the Selection and the Preparation
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.03.002openalex-snapshot
Three-dimensional QSAR of HPPD inhibitors, PSA inhibitors, and anxiolytic agents: Effect of tautomerism on the CoMFA models
inferred← citeshttps://doi.org/10.1016/s1741-8364(04)02408-4openalex-snapshot
Annotating and mining the ligand-target chemogenomics knowledge space
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00035openalex-snapshot
Tautobase: An Open Tautomer Database
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00338openalex-snapshot
Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples
inferred← citeshttps://doi.org/10.1021/ci060109bopenalex-snapshot
The Impact of Tautomer Forms on Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci1001179openalex-snapshot
Tautomer Identification and Tautomer Structure Generation Based on the InChI Code
inferred← citeshttps://doi.org/10.1021/ci500363popenalex-snapshot
Enumeration of Ring–Chain Tautomers Based on SMIRKS Rules
inferred← citeshttps://doi.org/10.1081/rrs-120026975openalex-snapshot
Tautomerism in Computer‐Aided Drug Design
inferred← citeshttps://doi.org/10.1186/s13321-018-0293-8openalex-snapshot
PubChem chemical structure standardization
inferred← citeshttps://doi.org/10.3109/14756366.2011.654112openalex-snapshot
Impact of tautomery of 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide on the COX-1 inhibitory mechanism
inferred← citeshttps://doi.org/10.3390/a1020183openalex-snapshot
Hierarchical Clustering of Large Databases and Classification of Antibiotics at High Noise Levels
inferred← citeshttps://doi.org/10.70675/ab76b9fcze4cbz45a3z950dz023b6506d0acopenalex-snapshot
Predictive models for kinetic and thermodynamic parameters of reactions
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