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Cheminformatics

Table of contents

Chemical databases

Chemistry software

AnIML

Applicability domain

Bioclipse

CSA Trust

Chemaxon

Chemical Markup Language

Chemical database

Chemical graph generator

Chemical library

Chemical similarity

Chemical space

Chemogenomics

Combinatorial chemistry

Corwin Hansch

Dendral

Dotmatics

Dynamic combinatorial chemistry

Enzyme Commission number

Estrada index

European Chemicals Bureau

European chemical Substances Information System

Evan J. Crane

Herman Skolnik Award

Hosoya index

IUCLID

Journal of Chemical Information and Modeling

Journal of Cheminformatics

Kimito Funatsu

Latent semantic structure indexing

Lipinski's rule of five

List of cheminformatics toolkits

Matched molecular pair analysis

Maximum common induced subgraph

Medicinal chemistry

Molecular Informatics

Molecular Query Language

Molecular descriptor

Molecular graph

Molecule mining

National Chemical Emergency Centre

Padmakar–Ivan index

Pharmacoinformatics

Pharmacophore

Phi coefficient

Polar surface area

Process analytical chemistry

Protein–ligand docking

Quantitative structure–activity relationship

Randić's molecular connectivity index

Retro screening

SMILES arbitrary target specification

Scoring functions for docking

Sensitivity and specificity

Smash Childhood Cancer

Szeged index

Tetrahedron Computer Methodology

Topological index

Topology (chemistry)

Virtual screening

Wiener index

William Wiswesser

Wiswesser line notation

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