chemical databases

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ChemFinder by member — last modified 2006-03-15 14:35

Trial structure search engine from CambridgeSoftware

CTFile format by member — last modified 2006-03-15 14:41

Official description of world-standard formats including MOL

Daylight Documentation by member — last modified 2006-03-15 14:42

Official description of SMILES format

KEGG by member — last modified 2006-03-14 14:29

Manually drawn metabolic map & automated annotation from sequences. (手描き代謝マップ&ゲノムからの半自動アノテーション)

Merck online catalog by member — last modified 2006-02-09 11:07

product catalog of organic compounds with safety information from the well-known pharmaceutical company (薬物のバイブル Merck Index を作成するメルク社の製品カタログ。安全性情報つき)

NCI database by member — last modified 2006-02-09 10:56

Molecular structures of 250000 compounds and related software programs

PubChem by member — last modified 2006-02-09 10:52

All kinds of molecular structures unclassified. Structure version of GenBank. (重複などお構いなしに、なんでも集めた化学構造群)

ZINC by member — last modified 2006-03-14 14:19

3D structures of 3.3 million compounds for molecular docking and virtual screening. Structural search is available.