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::: Chemical Database :::

Ž 踦 ȭչ ͺ ѱб(KISTI). Ȱü Ͽ 2000 2005 ڼ迬(BMD). NCI, Drug, PhysChem, Available Chemicals,Building Blocks. 5 ͺ Ǿ ϴ. ͺ κ ȭչ 2 ڱ 3 ڱ, ȭչ ǥ (Topological Descriptors, calculated logP, water solubility, Topological Polar Surface Area, HIA, BBB, Moment of inertia, Surface area, Volume, Dipole Moment, HOMO energy, LUMO energy, Polarizability) մϴ. Ȭչ (exact, substructure, similarity, pharmacophore search) (drug-likeness, reactive functional groups, ADME filter) ϰ ϴ.

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::: Chemical Database ::: | chemdb.kisti.re.kr Reviews

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Ž 踦 ȭչ ͺ ѱб(KISTI). Ȱü Ͽ 2000 2005 ڼ迬(BMD). NCI, Drug, PhysChem, Available Chemicals,Building Blocks. 5 ͺ Ǿ ϴ. ͺ κ ȭչ 2 ڱ 3 ڱ, ȭչ ǥ (Topological Descriptors, calculated logP, water solubility, Topological Polar Surface Area, HIA, BBB, Moment of inertia, Surface area, Volume, Dipole Moment, HOMO energy, LUMO energy, Polarizability) մϴ. Ȭչ (exact, substructure, similarity, pharmacophore search) (drug-likeness, reactive functional groups, ADME filter) ϰ ϴ.

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::: Chemical Database ::: | chemdb.kisti.re.kr Reviews

https://chemdb.kisti.re.kr

Ž 踦 ȭչ ͺ ѱб(KISTI). Ȱü Ͽ 2000 2005 ڼ迬(BMD). NCI, Drug, PhysChem, Available Chemicals,Building Blocks. 5 ͺ Ǿ ϴ. ͺ κ ȭչ 2 ڱ 3 ڱ, ȭչ ǥ (Topological Descriptors, calculated logP, water solubility, Topological Polar Surface Area, HIA, BBB, Moment of inertia, Surface area, Volume, Dipole Moment, HOMO energy, LUMO energy, Polarizability) մϴ. Ȭչ (exact, substructure, similarity, pharmacophore search) (drug-likeness, reactive functional groups, ADME filter) ϰ ϴ.

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chemdb.kisti.re.kr

1

::: Chemical Database :::

http://chemdb.kisti.re.kr/NCI/N_T_index.php

Similarity using chi 1-3(path). Similarity using Kappa 1 - 3. Reactive functional groups filter. Water Solubility (mg/L) from. HIA (% Human Intestinal Absorption) from. BBB (% Blood-Brain Barrier Penetration) from.

2

::: Chemical Database :::

http://chemdb.kisti.re.kr/Phys/P_T_index.php

Similarity using chi 1-3(path). Similarity using Kappa 1-3. Reactive functional groups filter. Water Solubility (mg/L) from. HIA (% Human Intestinal Absorption) from. BBB (Blood-Brain Barrier Penetration) from.

3

::: Chemical Database :::

http://chemdb.kisti.re.kr/help/01_chemdb.html

04 구조 검색 후 필터 기능. 05 국외 DB와의 직접적인 연결을 통한 부가적인 화합물 정보 제공. 신약설계를 위한 화합물 데이터베이스 ChemDB는 KISTI(한국과학기술정보연구원 http:/ www.kisti.re.kr. 에서 주관한 첨단지식정보구축 사업인 지식정보연계활용체제구축 사업을 시작으로 하여 2000년부터 2005년까지 BMD(사단법인 분자설계연구소 http:/ www.bmdrc.org. 의 기술 지원을 통해 구축된 화학 및 의약, 생물 분야에서 활용될 수 있는 전문 데이터베이스 검색 시스템입니다. 본 검색시스템은 현재 유료화 시범사업으로 지정되어 진행되고 있으며, 등록 후 사용할 수 있습니다. 일부 데이터베이스와 검색 결과를 sd 파일로 다운로드 받는 것은 유료로 운영되고 있습니다. 무료 - NCI database, Drug database, PhysChem database. 회원 등록은 홈페이지 상단에 My page 메뉴에서 할 수 있습니다. 1) 2차원 화학구조에 대한 정보.

4

::: Chemical Database :::

http://chemdb.kisti.re.kr/Drug/D_T_index.php

Advanced colorectal cancer treatment. Amyotrophic lateral sclerosis treatment. Benign prostatic hyperplasia therapy agent. Bulking agent for freeze drying. Dementia symptoms treatment adjunct. Dopamine D1 receptor agonist. Free oxygen radical scavenger. Gastric acid pump inhibitor. Multiple sclerosis symptomatic treatment. Platelet activating factor antagonist. Post-stroke and post-head trauma treatment. Selective estrogen receptor modulator. Similarity using chi 1-3(path). Similarity using Kappa 1 - 3.

5

::: Chemical Database :::

http://chemdb.kisti.re.kr/sitemap/sitemap.html

NCI (National Cancer Institute). About Available Chemicals database. About Building Blocks database. Example for structure search methods. Example for pharmacophore search. Using pharmacophore query builder.

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건국대학교 생명공학과 기능대사체 연구실

http://www.funcmetabol.com//link/link.html

Http:/ www.metabolomicssociety.org. The Koreaan Society of Microbiology and Biotechnology. Http:/ www.kormb.or.kr. Korean Society for Mass Spectrometry. Http:/ www.ksms.org. Korean Society for biochemistry and Molecular Biology. Http:/ www.biochem.or.kr. Http:/ pubchem.ncbi.nlm.nih.gov. CAS (A division of the American Chemical Society). Http:/ www.cas.org. CCD (The Combined Chemical Dictionary). Http:/ ccd.chemnetbase.com. Http:/ www.chemindustry.com/. Http:/ chemdb.kisti.re.kr. Http:/ www.gdb.org. GEM (...

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::: Chemical Database :::

Ž 踦 ȭչ ͺ ѱб(KISTI). Ȱü Ͽ 2000 2005 ڼ迬(BMD). NCI, Drug, PhysChem, Available Chemicals,Building Blocks. 5 ͺ Ǿ ϴ. ͺ κ ȭչ 2 ڱ 3 ڱ, ȭչ ǥ (Topological Descriptors, calculated logP, water solubility, Topological Polar Surface Area, HIA, BBB, Moment of inertia, Surface area, Volume, Dipole Moment, HOMO energy, LUMO energy, Polarizability) մϴ. Ȭչ (exact, substructure, similarity, pharmacophore search) (drug-likeness, reactive functional groups, ADME filter) ϰ ϴ.

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