Similarity searching on CAS Registry substances. 2. 2D structural similarity

No abstract is available for this paper.

• Publication year

  1994

• Venue

  Journal of chemical information and computer sciences

• Publication date

  Unknown publication date

• Fields of study

  Mathematics, Chemistry, Computer Science

• Identifiers
  DOI 10.1021/ci00017a016
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• No references are available for this paper.

• Computational Chemistry for the Identification of Lead Compounds for Radiotracer Development

  2023cites this paper
• Ligand-Based Virtual Screening Based on the Graph Edit Distance

  2021cites this paper
• Learning the Edit Costs of Graph Edit Distance Applied to Ligand-Based Virtual Screening

  2020cites this paper
• A comprehensive review of database resources in chemistry

  2020cites this paper
• Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure

  2019cites this paper
• Ring system-based chemical graph generation for de novo molecular design

  2016cites this paper
• A New Graph-Based Molecular Descriptor Using the Canonical Representation of the Molecule

  2014cites this paper
• Shape-based two dimensional descriptor for searching molecular database

  2014cites this paper
• Fragment Descriptors in Virtual Screening

  2013cites this paper
• LWDOSM: Language for Writing Descriptors of Outline Shape of Molecules

  2012cites this paper
• Virtuelle Methoden für den Entwurf von fokussierten kombinatorischen Bibliotheken basierend auf Feature-Tree-Ähnlichkeit

  2012cites this paper
• Fragment descriptors in structure-property modeling and virtual screening.

  2011cites this paper
• Chemoinformatics and Computational Chemical Biology

  2011cites this paper
• Improving Similarity-Driven Library Design: Customized Matching and Regioselective Feature Trees

  2011cites this paper
• Multiple minima hypersurfaces studies of aluminosilicate hydration

  2010cites this paper
• Spatial chemical distance based on atomic property fields

  2010cites this paper
• Similarity Searching in Chemical Structure Databases

  2008cites this paper
• Inference networks for molecular database similarity searching

  2008cites this paper
• Similarity Searching in Databases of Chemical Structures

  2007cites this paper
• Structure-property modelling of complex formation of strontium with organic ligands in water

  2006cites this paper
• Introduction to Similarity Searching in Chemistry

  2005cites this paper
• Introduction to Similarity Searching in Chemistry

  2004cites this paper
• The reduced graph descriptor in virtual screening and data-driven clustering of high-throughput screening data.

  2004cites this paper
• Clustering and similarity of chemical structures represented by binary substructure descriptors

  2003cites this paper
• Similarity Searching Using Reduced Graphs

  2003cites this paper
• Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis

  2003cites this paper
• Chemical Abstracts Service Information System

  2002cites this paper
• Fast Similarity Search in Three-Dimensional Structure Databases

  2000cites this paper
• Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments

  2000cites this paper
• Descriptor‐Based Similarity Measures for Screening Chemical Databases

  2000cites this paper
• Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries

  2000cites this paper
• Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining

  1999cites this paper
• Chemical Environment Code and Measure of Molecular Similarity

  1998cites this paper
• Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds

  1998cites this paper
• Computer‐Aided Estimation of Synthetic CompoundsSimilarity with Endogenous Bioregulations

  1998cites this paper
• Well-behaved, tunable 3D-affine invariants

  1998cites this paper
• Chemical Similarity Searching

  1998cites this paper
• 2D-affine invariants that distribute uniformly and can be tuned to any convex feature domain

  1998cites this paper
• Navigator: tools for informal structure-activity relationship discovery.

  1995cites this paper
• Searching for pharmacophoric patterns in databases of three‐dimensional chemical structures

  1995cites this paper
• Similarity in organic chemistry: A summary of the Beilstein Institute Conference

  1992cites this paper