ዷ㐿ߔࠆ 1 ߟ߹ߚߪⶄᢙߩ৻⥸᭴ㅧᑼࠍㆬᛯߒ - ⚿วዻᕈߩ೥㒰

⚿วዻᕈߩ೥㒰

1. ዷ㐿ߔࠆ 1 ߟ߹ߚߪⶄᢙߩ৻⥸᭴ㅧᑼࠍㆬᛯߒ

߹ߔޕ

NOTE: ઍᦧၮ/R-⴫ߦߟ޿ߡߪޔઍᦧၮ࡜ࡌ࡞ߣ⴫

ߩਔᣇ߇ㆬᛯߐࠇߡ޿ࠆᔅⷐ߇޽ࠅ߹ߔޕ࡜ࡌ࡞߇ ㆬᛯߐࠇߡ޿ߡޔ࠹࡯ࡉ࡞߇ㆬᛯߐࠇߡ޿ߥ޿႐วޔ ߘߩ࡜ࡌ࡞ߪዷ㐿ߦࠃߞߡୃᱜߐࠇߕޔ↢ᚑߐࠇߚ ߔߴߡߩ᭴ㅧᑼߦ࡜ࡌ࡞ߣߒߡ⴫␜ߐࠇ߹ߔޕ

2. Structureࡔ࠾ࡘ࡯ߩExpand Generic Structure ࠍࠢ࡝࠶ࠢߒ߹ߔޕ

᭴ㅧᑼߪᣂⷙ࠼ࠠࡘࡔࡦ࠻ౝߦ૞ᚑߐࠇ߹ߔޕ

R- ࡠࠫ࠶ࠢ ࠢࠛ࡝

৻⥸᭴ㅧᑼߣ৻⟲ߩ R-ၮ߇ߢ߈ߚࠄޔߘࠇࠄࠍ૶↪

ߒߡ᭴ㅧᑼ࠺࡯࠲ࡌ࡯ࠬߦኻߒߡࠢࠛ࡝ࠍታⴕߔࠆ ߎߣ߇ߢ߈߹ߔޕߎࠇࠍ R- ࡠࠫ࠶ࠢ ࠢࠛ࡝ߣ๭߮

߹ߔޕ

R-ࡠࠫ࠶ࠢ ࠢࠛ࡝ࠍታⴕߔࠆߣޔR-ၮߩ⚵ߺวࠊ ߖߣ৻⥸᭴ㅧᑼࠍᜬߟ᭴ㅧᑼ߇ᬌ⚝ߐࠇ߹ߔޕߎࠇ ࠄߩ⚵ߺวࠊߖߪޔቯ⟵ߒߚࡉ࡯࡞ᑼߦၮߠ߈߹ߔޕ R-ࡠࠫ࠶ࠢᬌ⚝ࠍḰ஻ߔࠆߦߪޔ^Structureࡔ࠾ࡘ࡯

ߩR-Logic Queryࠍࠢ࡝࠶ࠢߒޔR-Logic Query࠳

ࠗࠕࡠࠣ ࡏ࠶ࠢࠬࠍ㐿߈߹ߔޕ

ࠢࠛ࡝ࠍቯ⟵ߔࠆߦߪޔ᭴ㅧᑼߩ R-ၮࠍ 1 ߟ߹ߚߪ ⶄᢙㆬᛯߒޔߘߩ಴⃻࿁ᢙ߽ㆬᛯߒ߹ߔޕᦨೋߩ R-ၮ᧦ઙ߇ḩߚߐࠇߚ႐วߦ (ߔߋߦ⚿ᨐࠍ㄰ߐߕߦ )ᰴߩ R-ၮ߽ᬌ⚝ߔࠆ߆ߤ߁߆ࠍᜰቯߔࠆߎߣ߽ߢ ߈߹ߔޕߚߣ߃߫ޔᰴߩ᭴ㅧᑼߢ⠨߃ߡߺ߹ߒࠂ߁ޕ

ቯ⟵ ଀

ઍᦧၮߣ R-⴫

ήᜰቯઍᦧၮ

ర⚛࡝ࠬ࠻

นᄌ⚿ว

ߎߩ᭴ㅧᑼߪޔߤߜࠄߩ R₁ㇱ૏߽ࡈ࠶⚛ේሶ߹ߚߪ Ⴎ⚛ේሶߢ᭴ᚑߐࠇߡ޿ߥߌࠇ߫ߥࠄߥ޿ߎߣޔ߅ ࠃ߮ R₂ㇱ૏ߪ⥇⚛ේሶ߹ߚߪ࡛࠙⚛ේሶߩ޿ߕࠇ ߆ߢߥߌࠇ߫ߥࠄߥ޿ߎߣࠍ␜ߒ߹ߔޕ

ਔᣇߩ R₁૏⟎ߦ F ේሶ߹ߚߪ Cl ේሶ߇޽ߞߡޔR₂

૏⟎ߦ Br ේሶ߹ߚߪ I ේሶ߇޽ࠆ᭴ㅧᑼࠍߔߴߡ

࠺࡯࠲ࡌ࡯ࠬ߆ࠄᬌ⚝ߒߚ޿ߣ઒ቯߒ߹ߒࠂ߁ޕߎ ߩ႐วޔᰴߩᠲ૞ࠍⴕߞߡߊߛߐ޿ޕ

1. Structureࡔ࠾ࡘ࡯ߩR-Logic Queryࠍࠢ࡝࠶ࠢ

ߒ߹ߔޕ

2. R-Group࠼ࡠ࠶ࡊ࠳࠙ࡦ ࡝ࠬ࠻߆ࠄ^R1 ࠍㆬᛯ ߒ߹ߔޕ

3. Occurrencee rangeߣߒߡߪ 2 ࠍㆬᛯߒ߹ߔޕߎ ࠇߪ^R1ၮߩࠗࡦࠬ࠲ࡦࠬ߇ 2 ߟ಴⃻ߒߡ߆ࠄ⚿

ᨐࠍ㄰ߔࠃ߁ߦᜰቯߔࠆ߽ߩߢߔޕ

4. If R(i)ߣߒߡߪ^R2ࠍㆬᛯߒ߹ߔޕߎࠇߪ R₂૏⟎

߇ Br ߹ߚߪ I ߆ࠄᚑߞߡ޿ߥߌࠇ߫ߥࠄߥ޿ߎ ߣࠍᜰቯߔࠆ߽ߩߢߔޕ

5. Addࠍࠢ࡝࠶ࠢߒ߹ߔޕ 6. OKࠍࠢ࡝࠶ࠢߒ߹ߔޕ Rest H

น⢻ߥ R-ၮ૏⟎߇ 2 ߟ޽ߞߡޔ1ߟߒ߆ḩߚߐࠇ ߡ޿ߥ޿႐วߦޔ߽߁ 1 ߟ߇᳓⚛ߢߥ޿㒢ࠅ⢐ቯ

⊛ߥ⚿ᨐ߇㄰ߐࠇߥ޿ࠃ߁ߦᜰቯߔࠆߦߪޔ R-Logic Query࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߢ^{Rest H}ࠍㆬ

ᛯߒ߹ߔޕ

ේሶኻේሶߩࡑ࠶ࡇࡦࠣ

෻ᔕ࠺࡯࠲ࡌ࡯ࠬࠍᬌ⚝ߔࠆࠢࠛ࡝૞ᚑߦ૶↪ߔࠆ ߚ߼ߦޔ⇣ߥࠆ᭴ㅧᑼߩේሶ㑆ߩኻᔕࠍ૞ᚑߢ߈߹

ߔޕࡑ࠶ࡇࡦࠣߐࠇࠆ෻ᔕߣߒߡߪޔ1ࠬ࠹࠶ࡊߩ

෻ᔕߣⶄᢙࠬ࠹࠶ࡊߩ෻ᔕ߇޽ࠅ߹ߔޕේሶኻේሶ ࡑ࠶ࡇࡦࠣߪޔ෻ᔕ࠺࡯࠲ࡌ࡯ࠬ߳ߩ⊓㍳ߩߚ߼ޔ ߅ࠃ߮෻ᔕ࠺࡯࠲ࡌ࡯ࠬࠍᬌ⚝ߔࠆࠢࠛ࡝ࠍ૞ᚑߔ ࠆߚ߼ߦഀࠅᒰߡࠆߎߣ߇ߢ߈߹ߔޕ

NOTE: ේሶኻේሶߩࡑ࠶ࡇࡦࠣߪޔChemBioDraw Ultra 12.0ޔChemDraw Ultra 12.0ޔ߅ࠃ߮ ChemDraw

Pro 12.0 ߢߩߺ૶↪น⢻ߢߔޕ

ේሶࡑ࠶ࡇࡦࠣߩഀࠅᒰߡᣇߦߪޔએਅߩ 2 ߟߩᣇ ᴺ߇޽ࠅ߹ߔޕ

• ⥄േࡑ࠶ࡇࡦࠣ (Structureࡔ࠾ࡘ࡯ߩMap Reaction Atoms ࠍࠢ࡝࠶ࠢߒ߹ߔ)ޕ

• ᚻേࡑ࠶ࡇࡦࠣޕࡔࠗࡦ ࠷࡯࡞ ࡄ࡟࠶࠻ߩේሶ ኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ ࠷࡯࡞ࠍ૶↪ߒ߹ߔޕ

޿ߕࠇߩࡑ࠶ࡇࡦࠣಣℂߦ߅޿ߡ߽ޔࡑ࠶ࡇࡦࠣࠕ

࡞ࠧ࡝࠭ࡓߦࠃࠅ෻ᔕ‛ߣ↢ᚑ‛ߩ෻ᔕਛᔃ߇್ᢿ ߐࠇഀࠅᒰߡࠄࠇ߹ߔޕ

෻ᔕࡑ࠶ࡇࡦࠣࠍ૞ᚑߒߚᓟޔේሶኻේሶ෻ᔕࡑ࠶

ࡇࡦࠣ࠷࡯࡞ࠍㆬᛯߒߡ᭴ㅧᑼߩේሶࠍࡐࠗࡦ࠻ߔ ࠆߣޔઁߩ᭴ㅧᑼਛߩࡑ࠶ࡊᷣߺߩේሶࠍᒝ⺞⴫␜

ߔࠆߎߣ߇ߢ߈߹ߔޕ

⴫␜ߣශ೚

෻ᔕࡑ࠶ࡇࡦࠣߩ㓙ߦޔᏱߦේሶߩ਄ߦ⸥ภࠍ⴫␜

߅ࠃ߮ශ೚ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡߊߛߐ޿ޕ 1. Fileࡔ࠾ࡘ࡯ߩPreferencesࠍࠢ࡝࠶ࠢߒ߹ߔޕ 2. Preferences ࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߩ ^Building/

Display࠲ࡉࠍࠢ࡝࠶ࠢߒ߹ߔޕ

3. Always Display and Print Reaction Mappingࠍ ㆬᛯߒ߹ߔޕ

4. OKࠍࠢ࡝࠶ࠢߒ߹ߔޕ

Always Display and Print Atom Mapping ߩㆬᛯࠍ⸃㒰 ߔࠆߣޔේሶኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ࠷࡯࡞ࠍㆬᛯߒ ߚᤨߛߌ⸥ภ߇⴫␜ߐࠇࠆࠃ߁ߦߥࠅ߹ߔޕߎߩࠝ

ࡊ࡚ࠪࡦߩㆬᛯࠍ⸃㒰ߔࠆߣޔ෻ᔕࡑ࠶ࡊࠍ૞ᚑߒ ߡ߽ޔේሶߩࡑ࠶ࡇࡦࠣ⸥ภߪශ೚ߐࠇ߹ߖࠎޕ

⥄േࡑ࠶ࡇࡦࠣ

෻ᔕࡑ࠶ࡊࠍ૞ᚑߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡߊߛ ߐ޿ޕ

1. ࡑ࠶ࡇࡦࠣߒߚ޿෻ᔕࠍឬ↹ߒޔ෻ᔕ‛ߣ↢ᚑ

‛ࠍㆬᛯߒ߹ߔޕ

ࡅࡦ࠻ : ㆬᛯ࠷࡯࡞ߢ⍫ශࠍ࠳ࡉ࡞ࠢ࡝࠶ࠢߒߡޔ

෻ᔕో૕ࠍㆬᛯߒ߹ߔޕ

2. Structureࡔ࠾ࡘ࡯ߩMap Reaction Atomsࠍࠢ

࡝࠶ࠢߒ߹ߔޕ

෻ᔕ‛ߣ↢ᚑ‛ਛߩ⚿วߢޔ෻ᔕߦࠃߞߡᄌൻߒߚ ߣࠕ࡞ࠧ࡝࠭ࡓ߇್ᢿߒߚ߽ߩߦߟ޿ߡߪޔߘߩᮮ ߦޟ^Rxnޠߣ޿߁⸥ภ߇⴫␜ߐࠇ߹ߔޕߎࠇࠄߩ⸥

ภߪޔㆡ↪ߐࠇࠆ⚿วዻᕈߢߔޕReaction Center ⚿

วዻᕈߦߟ޿ߡߩ⹦⚦ߪޔ114ࡍ࡯ࠫߩޟ⚿วዻᕈޠ ࠍෳᾖߒߡߊߛߐ޿ޕ

࿑ 10.18 ⥄േ෻ᔕࡑ࠶ࡇࡦࠣ

ᚻേࡑ࠶ࡇࡦࠣ

ේሶࠍᚻേߢࡑ࠶ࡇࡦࠣߔࠆᔅⷐ߇޽ࠆ႐วߪޔේ

ሶኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ ࠷࡯࡞ࠍ૶↪ߒ߹ߔޕᚻേ

ࡑ࠶ࡇࡦࠣ߇ᔅⷐߦߥࠆߩߪޔⶄ㔀ߥ෻ᔕߢ⥄േ

ࡑ࠶ࡇࡦࠣࠍታⴕߒߡ⺋ߞߚ⚿ᨐ߇ᓧࠄࠇߚߣ߈ߢ ߔޕߘߩࠃ߁ߥ႐วߦߪޔ෻ᔕࡑ࠶ࡇࡦࠣࠍᚻേߢ

⺞ᢛߔࠆߎߣ߇ߢ߈߹ߔޕ

ᰴߩ࿑ߪޔේሶኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ ࠷࡯࡞ߢೋᦼ ࡑ࠶ࡇࡦࠣࠍୃᱜߔࠆ᭽ሶࠍ␜ߒߡ޿߹ߔޕ

࿑ 10.19 ⥄േࡑ࠶ࡇࡦࠣߩୃᱜ

ේሶኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ ࠷࡯࡞ߢ෻ᔕߩᚻേ

ࡑ࠶ࡇࡦࠣࠍታⴕߔࠆ႐วߪޔኻ⽎ߣߥࠆේሶએᄖ ߩේሶߩ⥄േౣࡑ࠶ࡇࡦࠣࠍᛥ೙ߔࠆߎߣ߇ߢ߈߹

ߔޕ

⥄േౣࡑ࠶ࡇࡦࠣࠍᛥ೙ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞ ߡߊߛߐ޿ޕ

1. Fileࡔ࠾ࡘ࡯ߩPreferencesࠍࠢ࡝࠶ࠢߒ߹ߔޕ 2. General ࠲ࡉߢޔAutomatic Reaction Mapping

ࠍࠢ࡝࠶ࠢߒ߹ߔޕ 3. OKࠍࠢ࡝࠶ࠢߒ߹ߔޕ

⥄േࡑ࠶ࡇࡦࠣߩ⚿ᨐࠍ⺞ᢛߔࠆߚ߼ߦේሶኻේሶ

෻ᔕࡑ࠶ࡇࡦࠣ࠷࡯࡞ࠍ૶↪ߔࠆߦߪ

1. ࠢࠛ࡝ ࠷࡯࡞ࡃ࡯ߩේሶኻේሶ෻ᔕࡑ࠶ࡇࡦࠣ

࠷࡯࡞ࠍࠢ࡝࠶ࠢߒ߹ߔޕ

2. ࡑ࠶ࡊࠍ૞ᚑߔࠆ෻ᔕ‛ਛߩේሶࠍࡐࠗࡦ࠻ߒ

߹ߔޕߚߣ߃߫ޔᰴߩឬ↹ߢߪޔࠛ࡯࠹࡞ߩ㉄

⚛ߩ㓞ࠅߦ޽ࠆ㕖Ⅳᑼ὇⚛ࠍࡐࠗࡦ࠻ߒ߹ߔޕ 3. ෻ᔕ‛ߩේሶࠍޔኻᔕߔࠆ↢ᚑ‛ߩේሶ߹ߢ࠼

࡜࠶ࠣߒ߹ߔޕ

ᱷࠅߩේሶߩࡑ࠶ࡇࡦࠣߪޔᚻേࡑ࠶ࡇࡦࠣߦၮߠ ߈߹ߔޕ

࿑ 10.20 ᦨ⚳⊛ߥࡑ࠶ࡇࡦࠣ

ᔅⷐߥࡑ࠶ࡇࡦࠣ⚿ᨐ߇ᓧࠄࠇࠆ߹ߢޔ෻ᔕਛߩઁ

ߩේሶߩࡑ࠶ࡇࡦࠣࠍ⛮⛯ߒߡ⸳ቯ߹ߚߪᄌᦝߢ߈

߹ߔޕ

෻ᔕࡑ࠶ࡇࡦࠣߩขࠅᶖߒ

෻ᔕࡑ࠶ࡇࡦࠣࠍߔߴߡขࠅᶖߔߦߪޔᰴߩᠲ૞ࠍ ⴕߞߡߊߛߐ޿ޕ

1. ࡑ࠶ࡇࡦࠣࠍขࠅᶖߒߚ޿᭴ㅧᑼࠍㆬᛯߒ߹ߔޕ 2. Structure ࡔ࠾ࡘ࡯ߩClear Reaction Mapࠍࠢ

࡝࠶ࠢߒ߹ߔޕ

෻ᔕࡑ࠶ࡇࡦࠣᖱႎߩࠛࠢࠬࡐ࡯࠻

෻ᔕࡑ࠶ࡇࡦࠣߣ෻ᔕਛᔃߦ㑐ߔࠆᖱႎߪޔࡀࠗ

࠹ࠖࡉߥࡈࠔࠗ࡞ᒻᑼ (*.cdx) ߢ଻ሽߐࠇ߹ߔޕChem

& Bio Draw 12.0 ߢࡈࠔࠗ࡞ࠍ㐿߈ޔChemFinder ߥߤ ߩේሶࡑ࠶ࡇࡦࠣࠍ⺒ߺขࠆઁߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦ ߦߘߩࡈࠔࠗ࡞ࠍォㅍߔࠆߎߣ߇ߢ߈߹ߔޕࠢ࡝࠶

ࡊࡏ࡯࠼ࠍ೑↪ߒߡޔࡑ࠶ࡊᷣߺߩ෻ᔕࠍ਄⸥ߩࠕ ࡊ࡝ࠤ࡯࡚ࠪࡦߦࠦࡇ࡯ߔࠆߎߣ߽ߢ߈߹ߔޕ

┙૕ൻቇ⸥ภ

┙૕ൻቇࠍ␜ߔࡈ࡜ࠣߪ 3 ⒳㘃޽ࠅ߹ߔޕ

࡜࠮ࡒ̆࡜࠮ࡒᷙว‛

⛘ኻ̆ᣢ⍮ߩ┙૕㈩⟎ߩ⚐☴㏜௝૕

⋧ኻ⊛̆ᧂ⍮ߩ┙૕㈩⟎ߩ⚐☴㏜௝૕

Chem & Bio Draw 12.0 ߢߩᄌᦝὐߦߟ޿ߡߪޔ79 ࡍ࡯ࠫߩޟ⋧ኻ┙૕ൻቇ᭴ㅧޠࠍෳᾖߒߡߊߛߐ޿ޕ

┙૕ൻቇࡈ࡜ࠣߩࡈࠜࡦ࠻ߣࠨࠗ࠭ߪޔ࠼ࠠࡘࡔࡦ

࠻ߩ࠺ࡈࠜ࡞࠻ߩේሶ࡜ࡌ࡞ ࠨࠗ࠭ߦࠃߞߡ᳿߹

ࠅ߹ߔޕ

NOTE: ┙૕ൻቇ⸥ภᯏ⢻ߪޔChemBioDraw Ultra 12.0ޔChemDraw Ultra 12.0ޔ߅ࠃ߮ ChemDraw Pro 12.0 ߢߩߺ૶↪น⢻ߢߔޕ

┙૕ൻቇࡈ࡜ࠣࠍឬ↹ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡ ߊߛߐ޿ޕ

1. ࠢࠛ࡝࠷࡯࡞ࠍ⴫␜ߔࠆߦߪޔ^ViewޔOther Toolbarsޔ Query Toolsߩ㗅ߦࠢ࡝࠶ࠢߔࠆ߆ޔࡔࠗࡦ ࠷࡯࡞

ࡄ࡟࠶࠻ߩࠢࠛ࡝ ࠷࡯࡞ ࠕࠗࠦࡦࠍࠢ࡝࠶ࠢߒ

߹ߔޕ

2. ࠢࠛ࡝ ࠷࡯࡞ ࡄ࡟࠶࠻ߢޔ૶↪ߔࠆࡈ࡜ࠣߩ

࠷࡯࡞ࠍࠢ࡝࠶ࠢߒ߹ߔޕ

3. ࡈ࡜ࠣࠍഀࠅᒰߡࠆ᭴ㅧᑼߩᮮࠍࠢ࡝࠶ࠢߒ

߹ߔޕ

3 ᰴరዻᕈ

3Dࠢࠛ࡝ߪޔߚߣ߃߫ޔน⢻ᕈߩ޽ࠆ࡟࠮ࡊ࠲㈩૏

ሶߦ߅ߌࠆޔේሶߣ⚿ว㑆ߩ 3D 㑐ଥࠍតߔ႐วߩ

⮎ℂ⊛ᬌ⚝ߢ․ߦଢ೑ߢߔޕ3Dࠢࠛ࡝ࠍ૞ᚑߔࠆߦ ߪޔᐞ૗ቇ⊛᭴ㅧ (࡜ࠗࡦ߿㕙ߥߤ)ߣ೙㒢 (▸࿐ߣ ߒߡᜰቯ)ࠍࠢࠛ࡝ ࠪࠬ࠹ࡓߦㅊടߒ߹ߔޕߚߣ߃

߫ޔ2ߟߩේሶ߇ 4 㨪 5 ࠝࡦࠣࠬ࠻ࡠ࡯ࡓ㔌ࠇߡ޿

ࠆᔅⷐ߇޽ࠆߎߣޔ߹ߚߪ 2 ߟߩᐔ㕙߇ 80 㨪100 ᐲ 㔌ࠇߡ޿ࠆᔅⷐ߇޽ࠆߎߣࠍᜰቯߢ߈߹ߔޕ

NOTE: 3ᰴరዻᕈᯏ⢻ߪޔChemBioDraw Ultra 12.0ޔ ChemDraw Ultra 12.0ޔ߅ࠃ߮ ChemDraw Pro 12.0 ߢ ߩߺ૶↪น⢻ߢߔޕ

᭴ㅧᑼߦ 3 ᰴరዻᕈࠍഀࠅᒰߡࠆߦߪޔᰴߩᠲ૞ࠍ ⴕߞߡߊߛߐ޿ޕ

1. ᭴ㅧᑼ߹ߚߪㇱಽ᭴ㅧᑼࠍㆬᛯߒ߹ߔޕ

NOTE: 3ᰴరዻᕈߦࠃߞߡߪ㗅ᐨࠍᜰቯߔࠆ

ᔅⷐ߇޽ࠆߚ߼ޔ^Shiftࠠ࡯ࠍ᛼ߒߥ߇ࠄࠢ࡝࠶

ࠢߒߡޔᔅⷐߥ㗅ᐨߢㆬᛯߒ߹ߔޕ

2. Structureࡔ࠾ࡘ࡯ߩAdd 3D Propertyࠍࠢ࡝࠶

ࠢߒޔਅ⸥ߩ⴫߆ࠄࠝࡊ࡚ࠪࡦࠍㆬᛯߒ߹ߔޕ NOTE: ਅ⸥ߩ⴫ߢޔ‘ࡐࠗࡦ࠻’ߪޔේሶޔ⾰

㊂ਛᔃޔ߹ߚߪ⚿วὐࠍᜰߒ߹ߔޕ ‘࡜ࠗࡦ’ߪޔ

࡜ࠗࡦ߹ߚߪᴺ✢ࠍᜰߒ߹ߔޕ

ࠝࡊ࡚ࠪࡦ ᬌ⚝⚿ᨐ

Angle 3ߟߩ⚿วὐ㑆ߩⷺᐲ೙㒢ࠍቯ⟵ߒ߹

ߔ (㗅ᐨ)ޕ▸࿐ߣߒߡ␜ߐࠇ߹ߔޕ

Dihedral 4ߟߩࡐࠗࡦ࠻ (㗅ᐨ)ޔ2ᧄߩ࡜ࠗࡦޔ

߹ߚߪ 2 㕙㑆ߩ 2 㕙 (ߨߓࠇ)ⷺ೙㒢ࠍ ቯ⟵ߒ߹ߔޕ▸࿐ߣߒߡ␜ߐࠇ߹ߔޕ

Distance 2ߟߩࡐࠗࡦ࠻ޔ1ߟߩࡐࠗࡦ࠻ߣ 1 ᧄ

ߩ࡜ࠗࡦޔ߹ߚߪ 1 ߟߩࡐࠗࡦ࠻ߣ 1 㕙ߩ㑆ߩ〒㔌೙㒢ࠍቯ⟵ߒ߹ߔޕࠝࡦ

ࠣࠬ࠻ࡠ࡯ࡓන૏ߢ▸࿐ߣߒߡ␜ߐࠇ

߹ߔޕ

Line ㆬᛯߒߚ⚿วὐߦᦨㆡߥ࡜ࠗࡦࠍቯ⟵

ߒ߹ߔޕ

Plane ㆬᛯߒߚࡐࠗࡦ࠻ޔ߹ߚߪࡐࠗࡦ࠻ߣ࡜

ࠗࡦߦߟ޿ߡޔᦨㆡߥ㕙ࠍቯ⟵ߒ߹ߔޕ Exclusion

Sphere

⚿วὐ๟࿐ߩឃઁ⃿ࠍቯ⟵ߒ߹ߔޕⶄ ᢙߩ⚿วὐࠍㆬᛯߒߚ႐วޔឃઁ⃿ߪ ᦨೋߦㆬᛯߒߚ⚿วὐߩ๟࿐ߦቯ⟵ߐ ࠇޔᓟ⛯ߩ⚿วὐߪࠢࠛ࡝߇⹏ଔߐࠇ ࠆߣߘߩឃઁ⃿ౝߦ૏⟎ߒ߹ߔޕࠝࡦ

ࠣࠬ࠻ࡠ࡯ࡓන૏ߢ 0 ߆ࠄᆎ߹ࠆ▸࿐

ߣߒߡ␜ߐࠇ߹ߔޕ

Normal ⚿วὐߩᣇะߦቯ⟵ߐࠇߚ㕙߆ࠄᱜᏱ

ࠍቯ⟵ߒ߹ߔޕ

Point ᦨೋߩ⚿วὐ߆ࠄ 2 ⇟⋡ߩ⚿วὐߩᣇ

ะ (㗅ᐨ)ߦޔ߹ߚߪᱜᏱߩᣇะߦޔᜰ ቯߐࠇߚ〒㔌ߢ㈩⟎ߐࠇߚ⚿วὐࠍቯ

⟵ߒ߹ߔޕ

೙㒢୯ߪ޿ߕࠇ߽࠹ࠠࠬ࠻࠷࡯࡞ߢ✬㓸ߔࠆߎߣ߇ ߢ߈߹ߔޕឃઁ⃿ߩߺ߇ᄌᦝࠍⷞⷡ⊛ߦ⴫␜ߒ߹ߔޕ

⚿วὐࠍ૞ᚑߔࠆߣޔ࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬ߇⴫␜ߐ ࠇ߹ߔޕᦨೋߦㆬᛯߐࠇߚ⚿วὐ߆ࠄ⸘▚ߐࠇߚ⚿

วὐ߹ߢߩ〒㔌ࠍᜰቯߒ߹ߔޕ〒㔌ߪࠝࡦࠣࠬ࠻

ࡠ࡯ࡓߩ⛘ኻ୯ߣߒߡޔ߹ߚߪㆬᛯߐࠇߚ⚿วὐ㑆 ߩ〒㔌ߩࡄ࡯࠮ࡦ࠻ߣߒߡᜰቯߢ߈߹ߔޕ⽶ߩ୯ߪޔ ᦨೋߩ⚿วὐߣ 2 ⇟⋡ߩ⚿วὐߩ㑆ߦ⸘▚ߐࠇߚ⚿

วὐ߇޽ࠆߩߢߪߥߊޔ⸘▚ߐࠇߚ⚿วὐߪ 2 ⇟⋡

ߩ⚿วὐ߆ࠄߩ〒㔌߇ᦨೋߩ⚿วὐࠃࠅ㐳޿ߎߣࠍ

␜ߒ߹ߔޕ

ᐞ૗ቇ⊛᭴ㅧߣ೙㒢ࠝࡉࠫࠚࠢ࠻ߪޔ᭴ㅧᑼࠍᄌᦝ ߔࠆߣ⥄േ⊛ߦᦝᣂߐࠇ߹ߔޕ⁛┙ߒߡ⒖േߐߖࠆ ߎߣߪߢ߈߹ߖࠎޕCDXޔMOLޔSKCޔ߅ࠃ߮ TGF ࡈࠔࠗ࡞ߣ૬↪ߔࠆߎߣ߇ߢ߈߹ߔ ( ࡝࡯࠼࡜ࠗ࠻

ቢో੕឵ᕈ)ޕઁߩᒻᑼߣߪ੕឵ᕈ߇޽ࠅ߹ߖࠎޕߚ

ߛߒޔTIFF ߥߤߩශ೚㒢ቯᒻᑼߢ଻ሽߔࠆߎߣ߇ߢ

߈߹ߔޕ

ࠛࠢࠬࡐ࡯࠻ᤨߩ੕឵ᕈ

ࠢࠛ࡝ዻᕈߪൻቇ࠺࡯࠲ࡌ࡯ࠬߢߩߺ᦭ലߥߚ߼ޔ

᭴ㅧᑼࠍ Chem & Bio Draw 12.0 ߆ࠄᬌ⚝ࠪࠬ࠹ࡓߦ

⒖ߐߥߌࠇ߫ߥࠅ߹ߖࠎޕᱷᔨߥ߇ࠄޔࡈࠔࠗ࡞ᒻ ᑼߦࠃߞߡߪ૶↪ߢ߈ߥ޿ࠢࠛ࡝ዻᕈ߿ޔൻቇ࠺࡯

࠲ࡌ࡯ࠬߦࠃߞߡߪ૶↪ߢ߈ߥ޿ࡈࠔࠗ࡞ᒻᑼ߽޽

ࠅ߹ߔޕࠨࡐ࡯࠻ߐࠇࠆࡈࠔࠗ࡞ᒻᑼߦߟ޿ߡߪޔ ߏ૶↪ߩ࠺࡯࠲ࡌ࡯ࠬߩࡑ࠾ࡘࠕ࡞ࠍෳᾖߒߡߊߛ ߐ޿ޕ

ᰴߩ⴫ߦޔChem & Bio Draw 12.0 ߇ޔSKCޔTGFޔ߅ ࠃ߮ࠢ࡝࠶ࡊࡏ࡯࠼ߩࡈࠔࠗ࡞ᒻᑼߦᦠ߈಴ߔࠢࠛ

࡝ዻᕈࠍ␜ߒ߹ߔޕឬ↹ᤨߩࠢࠛ࡝ዻᕈࠍߔߴߡ଻

ሽߔࠆߚ߼ߦߪ CDX ᒻᑼࠍ߅൘߼ߒ߹ߔޕ

Centroid ㆬᛯߒߚߔߴߡߩઁߩ⚿วὐߩᐔဋ૏

⟎ߦ㈩⟎ߐࠇߚ⚿วὐࠍቯ⟵ߒ߹ߔޕ

ࠛࠢࠬࡐ࡯࠻ߔࠆ

ࠢࠛ࡝ዻᕈ

ISIS

™

Mol Rxn

Atom Properties Substituents

ࠝࡊ࡚ࠪࡦ ᬌ⚝⚿ᨐ

Unspecified X X X

• Free Sites b b b

• Up to a a a

• Exactly X^c X^c X^c

Implicit Hydrogens

• Not allowed X X X

• Allowed X X X

Ring Bond Count

• Any X X X

• No ring bonds X X X

• As drawn X X X

• Simple ring X X X

• Fusion X X X

• Spiro or higher X X X

Unsaturation

• Unspecified X X X

• Must be absent

• Must be present X X X

Reaction Change

• May be anything X X

• Must be

as specified X X

ࠛࠢࠬࡐ࡯࠻ߔࠆ

ࠢࠛ࡝ዻᕈ

ISIS

™

Mol Rxn

Reaction Stereo

• Any X X

• Inversion X X

• Retention X X

Translation

• Equal

• Broad

• Any

• Narrow Abnormal Valence

• Not Allowed X X X

• Allowed X X X

Bond Properties Bond Type

• Single X X X

• Dashed X d X

• Hashed d d d

• Wedged Hashed X X X

• Bold X e e

• Wedged X X X

• Wavy X X X

• Hollow Wedged e e e

ࠛࠢࠬࡐ࡯࠻ߔࠆ

ࠢࠛ࡝ዻᕈ

ISIS

™

Mol Rxn

• Dative f f f

• Double Xg X X

• Double Either X X X

• Double Bold h h h

• Aromatic X X X

• Tautomeric i i i

• Triple X X X

• Quadruple l l l

• Any X X X

• S/D X X X

• D/A X X X

• S/A X X X

Topology

• Unspecified X X X

• Ring X X X

• Chain X X X

Reaction Center

• Unspecified X X

• Center X X

• Make/Break X X

• Change X X

• Make&Change X X

ࠛࠢࠬࡐ࡯࠻ߔࠆ

ࠢࠛ࡝ዻᕈ

ISIS

™

Mol Rxn

ă ㆡᱜߥઍᦧၮᢙߦᄌ឵ߐࠇ߹ߔޕ

b̆ ࡈ࡝࡯ ࠨࠗ࠻ᢙ߇࠯ࡠߩߣ߈ߪ “ឬ↹ߐࠇߚ߹

߹ߩ⟎឵ၮ ”ߣ⸃㉼ߐࠇޔߘߩઁߔߴߡߩࡈ

࡝࡯ ࠨࠗ࠻୯ߪޔ⃻࿷ߩ✚ේሶଔߦࡈ࡝࡯ ࠨ

ࠗ࠻୯ࠍ⿷ߒߚ߽ߩߦ╬ߒ޿⟎឵ၮߣߒߡ⸥

ㅀߐࠇ߹ߔޕ

c̆ 5 ࠃࠅ߽ᄙ޿⟎឵ၮᢙߪ “6 એ਄ ”ߣ⸃㉼ߐࠇ

߹ߔޕ

d̆ ࡂ࠶ࠪࡘ࠙ࠚ࠶ࠫ⚿วߦᄌ឵ߐࠇ߹ߔޕ ĕ ࠙ࠚ࠶ࠫ⚿วߦᄌ឵ߐࠇ߹ߔޕ

f̆ න⚿วߦᄌ឵ߐࠇޔ㈩૏⚿วߩၮᐩේሶߦߪᱜ 㔚⩄ޔ㈩૏⚿วߩవ┵ߩේሶߦߪ⽶㔚⩄߇ㆡ↪

ߐࠇ߹ߔޕ

ğ ISIS

™

ߪޔήᜰቯߩࠪࠬ/࠻࡜ࡦࠬ┙૕ൻቇ᭴

ㅧߣ⸃㉼ߐࠇ߹ߔޕ h̆ ੑ㊀⚿วߦᄌ឵ߐࠇ߹ߔޕ

Ĭ S/D ⚿วߦᄌ឵ߐࠇ߹ߔޕ

j̆ MޔXޔQޔAߩߺޕߘߩઁߪࠛࠗ࡝ࠕࠬߣߒߡ

⸥ㅀߐࠇ߹ߔޕ

k̆ ᦨೋߩ 5 ߟߩర⚛એᄖߪ೥㒰ߐࠇ߹ߔޕ l̆ න⚿วߦᄌ឵ߐࠇ߹ߔޕ

m̆ RG ࡈࠔࠗ࡞߇⥄േ⊛ߦ૞ᚑߐࠇ߹ߔޕ n̆ ήᜰቯߢߥ޿ઍᦧၮߦᄌ឵ߐࠇ߹ߔޕ

ŏ 5 ࠃࠅᄙ޿ర⚛ߩ࡝ࠬ࠻ߪޔઍᦧၮߦᄌ឵ߐࠇ

߹ߔޕ

p̆ ➅ࠅ㄰ߒ▸࿐ߩᦨૐᢙߪᏱߦ 1 ߣߒߡಣℂߐࠇ

߹ߔޕ

• Not Center X X

ߘߩઁߩࠢࠛ࡝ዻᕈ

• ✚⒓࠾࠶ࠢࡀ࡯ࡓ X^j X^j X^j

• ర⚛࡝ࠬ࠻ X^ko X^ko X^ko

• ุቯర⚛࡝ࠬ࠻ X^k X^k X^k

• ઍᦧၮ X Xm

• ήᜰቯઍᦧၮ n n

• ࡝ࡦࠢ ࡁ࡯࠼ p p p

• ᜝ᒐዻᕈ X X X

• ේሶኻේሶࡑ࠶ࡇ

ࡦࠣ X X

• นᄌ⚿ว૏⟎

3Dࠢࠛ࡝ዻᕈ

ࠛࠢࠬࡐ࡯࠻ߔࠆ

ࠢࠛ࡝ዻᕈ

ISIS

™

Mol Rxn

ᖱႎߩ౒᦭

Chem & Bio Draw 12.0 ߦߪᖱႎࠍォㅍߔࠆߚ߼ߩᮡ

Ḱࠪࠬ࠹ࡓ ࠦࡑࡦ࠼߇ᄙᢙ↪ᗧߐࠇߡ߅ࠅޔ࠼ࠠࡘ ࡔࡦ࠻ౝޔ⇣ߥࠆ࠼ࠠࡘࡔࡦ࠻㑆ޔ߅ࠃ߮ Chem &

Bio Draw 12.0 ࠼ࠠࡘࡔࡦ࠻ߣઁࠕࡊ࡝ࠤ࡯࡚ࠪࡦ

ߩ࠼ࠠࡘࡔࡦ࠻ߣߩ㑆ߢᖱႎࠍォㅍߢ߈߹ߔޕ એਅࠍ૶↪ߒߡޔᖱႎࠍォㅍߔࠆߎߣ߇ߢ߈߹ߔޕ

• ࠢ࡝࠶ࡊࡏ࡯࠼

• ࠼࡜࠶ࠣ & ࠼ࡠ࠶ࡊ

• ࡈࠔࠗ࡞ᒻᑼ

Chem & Bio Draw 12.0 ᖱႎࠍ࠼࡜࠶ࠣ & ࠼ࡠ࠶ࡊߔ ࠆ߆ޔ߹ߚߪࠢ࡝࠶ࡊࡏ࡯࠼ࠍ૶↪ߔࠆߣޔࠦࡇ࡯

ߔࠆࠝࡉࠫࠚࠢ࠻ࠍ✬㓸ߔࠆߎߣ߇ߢ߈߹ߔޕ

ࠢ࡝࠶ࡊࡏ࡯࠼

ࠢ࡝࠶ࡊࡏ࡯࠼ࠍ૶↪ߔࠆߣޔห৻ߩࠦࡦࡇࡘ࡯࠲

਄߹ߚߪࡀ࠶࠻ࡢ࡯ࠢ਄ߢേ૞ߒߡ޿ࠆࠕࡊ࡝ࠤ࡯

࡚ࠪࡦ㑆ߢޔࠕࠢ࠹ࠖࡉ ࠼ࠠࡘࡔࡦ࠻࠙ࠖࡦ࠼࠙ౝ

ߩ৻ㇱ߹ߚߪߔߴߡߩᖱႎࠍォㅍߢ߈߹ߔޕᮡḰߩ

ࠦࡇ࡯ & ⾍ࠅઃߌᯏ⢻߹ߚߪಾࠅขࠅ & ⾍ࠅઃߌ ᯏ⢻ࠍ૶↪ߒߡޔߎࠇࠄߩᯏ⢻ࠍࠨࡐ࡯࠻ߔࠆࠕࡊ

࡝ࠤ࡯࡚ࠪࡦߦᖱႎࠍォㅍߒ߹ߔޕᖱႎߪឬ↹ࠝࡉ

ࠫࠚࠢ࠻ߣߒߡォㅍߐࠇ߹ߔޕࠝࡉࠫࠚࠢ࠻ࠍ࠳ࡉ

࡞ࠢ࡝࠶ࠢߔࠆߣޔߘߩࠝࡉࠫࠚࠢ࠻ࠍ Chem & Bio

Draw 12.0 ߢ✬㓸ߔࠆߎߣ߇ߢ߈߹ߔޕ

߹ߚޔ^{Copy As}ᯏ⢻ࠍ૶↪ߒߡޔㆬᛯߒߚ᭴ㅧᑼࠍ

SMILES ᢥሼ೉ޔSLN ᢥሼ೉ޔInChI™ ᢥሼ೉ߦᄌ឵

ߢ߈߹ߔޕ

ࠢ࡝࠶ࡊࡏ࡯࠼ߦࠦࡇ࡯ߒߚ᭴ㅧᑼࠍ೎ߩ Chem &

Bio Draw 12.0 ࠼ࠠࡘࡔࡦ࠻ߦ⾍ࠅઃߌࠆ႐วޔ⾍ࠅ

ઃߌࠄࠇࠆᖱႎߪ⃻࿷ߩ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯߦၮߠ

޿ߡ᜛ᄢ߹ߚߪ❗ዊߐࠇ߹ߔޕ⹦⚦ߦߟ޿ߡߪޔ133 ࡍ࡯ࠫߩޟ⥄േࠬࠤ࡯࡝ࡦࠣޠࠍෳᾖߒߡߊߛߐ޿ޕ

PostScript ࡊ࡝ࡦ࠲ߢශ೚੍ቯߩ࠼ࠠࡘࡔࡦ࠻ߦ

Chem & Bio Draw 12.0 ߢ૞ᚑߒߚឬ↹ࠍ⾍ࠅઃߌࠆ ႐วߪޔ134 ࡍ࡯ࠫߩޟPostScript ࠺࡯࠲ߩォㅍ (Macintosh )ޠࠍෳᾖߒߡߊߛߐ޿ޕ

࠹ࠠࠬ࠻ⴕ⸥ᴺ

࠹ࠠࠬ࠻ⴕ⸥ᴺࠍ૶↪ߔࠆߣޔ1ⴕߩᢥሼ೉ࠍޔߘ ߩᢥሼ೉߇⴫ߔ᭴ㅧᑼߦዷ㐿ߔࠆߎߣ߇ߢ߈߹ߔޕ

SMILES ᢥሼ೉ߪޔಽሶߩ᭴ㅧᑼࠍ⴫ߔ 1 ⴕߩᢥሼ

೉ߢߔޕᄙߊߩ࠰ࡈ࠻࠙ࠚࠕߢޔൻቇ᭴ㅧᑼ࠺࡯࠲

ߩ౉ജߣ଻ሽߦ SMILES ᢥሼ೉߇૶ࠊࠇߡ޿߹ߔޕ

NOTE: ࠹ ࠠ ࠬ ࠻ ⴕ ⸥ ᴺ ࠍ ૶ ↪ ߢ ߈ ࠆ ߩ ߪޔ ChemBioDraw Ultra 12.0ޔChemDraw Ultra 12.0ޔ߅ࠃ

߮ ChemDraw Pro 12.0 ߩߺߢߔޕ

SMIRKS ᢥሼ೉ߪޔൻቇ෻ᔕࠍ࠹ࠠࠬ࠻ߢ⸥ㅀߒߚ

߽ߩߢߔޕ޽ࠆ෻ᔕࠍㆬᛯߒޔCopy As SMILESࠦ ࡑࡦ࠼ࠍታⴕߔࠆߣޔSMIRKS ᢥሼ೉߇ࠢ࡝࠶ࡊ ࡏ࡯࠼ߦࠦࡇ࡯ߐࠇ߹ߔޕSMIRKS ᢥሼ೉߇ࠢ࡝࠶

ࡊࡏ࡯࠼ߦ޽ࠆᤨߦޔPaste Special SMILESࠦࡑ ࡦ࠼ࠍ૶߁ߣޔ࠼ࠠࡘࡔࡦ࠻ߦ෻ᔕ߇⾍ࠅઃߌࠄࠇ

߹ߔޕ

SMILESᢥሼ೉ߩ૞ᚑ

᭴ㅧᑼߩ SMILES ᢥሼ೉ࠍ૞ᚑߔࠆߦߪޔᰴߩᠲ૞

ࠍⴕߞߡߊߛߐ޿ޕ 1. ᭴ㅧᑼࠍㆬᛯߒ߹ߔޕ

2. Editޔ^{Copy As}ޔ^SMILESߩ㗅ߦㆬᛯߒ߹ߔޕ

11

SMILES ᢥሼ೉߇ࠢ࡝࠶ࡊࡏ࡯࠼ߦォㅍߐࠇ߹ߔޕ

࿑ 11.1 SMILES ᢥሼ೉ߩ૶↪

SMILES ᢥሼ೉ࠍ⴫␜ߔࠆߦߪޔ࠼ࠠࡘࡔࡦ࠻ ࠙ࠖ

ࡦ࠼࠙ߦᢥሼ೉ࠍ⾍ࠅઃߌ߹ߔޕ

SMILES ᢥሼ೉ࠍࠢ࡝࠶ࡊࡏ࡯࠼ߦࠦࡇ࡯ߔࠆߣޔ

SMILES ᢥሼ೉ࠍ⸃㉼ߢ߈ࠆ೎ߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦ

ߦ SMILES ᢥሼ೉ࠍォㅍߔࠆߎߣ߇ߢ߈߹ߔޕ

Chem & Bio Draw 12.0 ߆ࠄࠢ࡝࠶ࡊࡏ࡯࠼ߦⶄᢙߩ

᭴ㅧᑼࠍࠦࡇ࡯ߔࠆߣޔSMILES ᢥሼ೉ߪࡇ࡝ࠝ࠼

ߢ඙ಾࠄࠇߡࠦࡇ࡯ߐࠇ߹ߔޕ

SMILES ⴫⸥ߢߪޔዊᢥሼߦࠃࠆ⧐㚅ᣖ᭴ㅧᑼࠍ⴫

ߔߚ߼ߩઍᦧ⴫⸥߇૶↪ߢ߈߹ߔޕChem & Bio Draw 12.0ߢߪޔAtom Properties࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߢ

Aromatic⚿ว࠲ࠗࡊࠍㆬᛯߔࠆ߆ޔછᗧߩⅣ᭴ㅧᑼ

ౝߦ౞ࠍ㈩⟎ߔࠆߎߣߢޔ⧐㚅ᣖ⚿ว߇᣿␜ߐࠇߚ ߔߴߡߩ᭴ㅧᑼߦኻߒߡޔߎߩ࠲ࠗࡊߩ SMILES ᢥ ሼ೉ࠍ૞ᚑߢ߈߹ߔޕ

࿑ 11.2 ⧐㚅ᣖߩ SMILES ⴫⸥

SMILESᢥሼ೉ߩ⾍ࠅઃߌ

SMILES ᢥሼ೉ࠍ⾍ࠅઃߌߡޔߘߩ࠹ࠠࠬ࠻ᢥሼ೉

ࠍ᭴ㅧᑼߦᄌ឵ߔࠆߎߣ߇ߢ߈߹ߔޕ

SMILES ᢥሼ೉ࠍ᭴ㅧᑼߣߒߡ⾍ࠅઃߌࠆߦߪޔᰴ

ߩᠲ૞ࠍⴕߞߡߊߛߐ޿ޕ

1. SMILES ᢥሼ೉߇⸥ㅀߐࠇߡ޿ࠆ࠰࡯ࠬ ࡈࠔࠗ

࡞ߢ SMILES ᢥሼ೉ࠍㆬᛯߒޔ^Ctrl+Cࠠ࡯ࠍ᛼

ߒ߹ߔޕ

2. Chem & Bio Draw 12.0 ߢޔ^EditޔPaste Specialޔ

SMILESߩ㗅ߦㆬᛯߒ߹ߔޕ

SLNᢥሼ೉ߩ૞ᚑ

᭴ㅧᑼࠍ SLN ᢥሼ೉ߩᒻᑼߢࠢ࡝࠶ࡊࡏ࡯࠼ߦࠦ

ࡇ࡯ߔࠇ߫ޔTRIPOS ࠕࡊ࡝ࠤ࡯࡚ࠪࡦߦࠛࠢࠬ

ࡐ࡯࠻ߢ߈߹ߔޕ

᭴ㅧᑼࠍ SLN ᢥሼ೉ߣߒߡࠦࡇ࡯ߔࠆߦߪޔᰴߩᠲ

૞ࠍⴕߞߡߊߛߐ޿ޕ 1. ᭴ㅧᑼࠍㆬᛯߒ߹ߔޕ

2. Editޔ^{Copy As}ޔ^SLNߩ㗅ߦㆬᛯߒ߹ߔޕ

᭴ㅧᑼ߇ SLN ᢥሼ೉ߣߒߡࠢ࡝࠶ࡊࡏ࡯࠼ߦࠦ

ࡇ࡯ߐࠇ߹ߔޕ

࿑ 11.3 SLN ᢥሼ೉

InChI™ ᢥሼ೉ߩ૞ᚑ

Chem & Bio Draw 12.0 ߪޔ IUPAC International Chemical Identifier (InChI™) ࡊࡠ࠻ࠦ࡞ࠍࠨࡐ࡯࠻^* ߒߡ޿߹ߔޕ᭴ㅧᑼࠍ InChI™ ᢥሼ೉ߣߒߡઁߩ࠼

ࠠࡘࡔࡦ࠻ߦࠦࡇ࡯ߔࠆߦߪޔ^{Copy As}ᯏ⢻ࠍ૶↪

ߒ߹ߔޕ

ࠦࡇ࡯ߢ߈ࠆߩߪޔᱜⷙߩ InChI™ ᭴ㅧᑼߛߌߢߔޕ

InChI™ ࡊࡠ࠻ࠦ࡞ߢࠨࡐ࡯࠻ߐࠇߡ޿ߥ޿᭴ㅧᑼ

ࠍࠦࡇ࡯ߒࠃ߁ߣߔࠆߣޔࠨࡐ࡯࠻ᄖߩ᭴ㅧᑼߢ޽

ࠆߎߣࠍ␜ߔ⼊๔߇⴫␜ߐࠇ߹ߔޕ

࠼࡜࠶ࠣ & ࠼ࡠ࠶ࡊ

࠼࡜࠶ࠣ & ࠼ࡠ࠶ࡊᠲ૞ࠍ૶↪ߒߡޔࠝࡉࠫࠚࠢ࠻

ࠍઁߩ࠼ࠠࡘࡔࡦ࠻ߦࠦࡇ࡯ߔࠆߎߣ߇ߢ߈߹ߔޕ

ઁߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦߢߎߩᯏ⢻ࠍ૶↪ߔࠆߦߪޔ ߘߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦ߇࠼࡜࠶ࠣ & ࠼ࡠ࠶ࡊࠍࠨ

*. InChI™ ߪ International Union of Pure and Applied Chemistry ߩ໡ᮡߢߔޕChem & Bio Draw 12.0 ౝߩ InChI™ ࡑ࠹࡝ࠕ࡞ߪ^© IUPAC 2005 ߢߔޕ

ࡐ࡯࠻ߒߡ޿ࠆᔅⷐ߇޽ࠅ߹ߔޕኻ⽎ߩࠝࡉࠫࠚࠢ

࠻ߪ Chem & Bio Draw 12.0 ࠝࡉࠫࠚࠢ࠻ߣߒߡォㅍ ߐࠇޔォㅍߐࠇߚࠝࡉࠫࠚࠢ࠻ߪ✬㓸น⢻ߢߔޕ

ࠬࠢ࡜࠶ࡊ ࡈࠔࠗ࡞ߣࠢ࡝࠶ࡇࡦࠣ ࡈࠔࠗ࡞

ࠢ࡝࠶ࡇࡦࠣ ࡈࠔࠗ࡞ (Macintosh )߅ࠃ߮ࠬࠢ

࡜࠶ࡊ ࡈࠔࠗ࡞ (Windows )ࠍ૶↪ߔࠆߣޔChem

& Bio Draw 12.0 ߢࡈࠔࠗ࡞ࠍ଻ሽߒߥߊߡ߽ޔឬ↹

ߩ৻ㇱࠍઁߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦߦࠦࡇ࡯ߔࠆߎߣ߇ ߢ߈߹ߔޕ

ࠬࠢ࡜࠶ࡊ ࡈࠔࠗ࡞߿ࠢ࡝࠶ࡇࡦࠣ ࡈࠔࠗ࡞ࠍ૞

ᚑߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡߊߛߐ޿ޕ 1. ࠼ࠠࡘࡔࡦ࠻ౝߩࠝࡉࠫࠚࠢ࠻ࠍㆬᛯߒ߹ߔޕ 2. ㆬᛯߒߚౝኈࠍ࠼ࠠࡘࡔࡦ࠻ ࠙ࠖࡦ࠼࠙߆ࠄ࠺

ࠬࠢ࠻࠶ࡊ߹ߢ࠼࡜࠶ࠣߒ߹ߔޕࡈࠔࠗ࡞߇࠺

ࠬࠢ࠻࠶ࡊߦ⴫␜ߐࠇ߹ߔޕ

ࡈࠔࠗ࡞ߩౝኈࠍ⴫␜ߔࠆߦߪޔߘߩࠕࠗࠦࡦࠍ࠳

ࡉ࡞ࠢ࡝࠶ࠢߒ߹ߔޕࡈࠔࠗ࡞ߩౝኈࠍ࠼ࠠࡘࡔࡦ

࠻ߢ૶↪ߔࠆߦߪޔߘߩࡈࠔࠗ࡞ࠍ࠼࡜࠶ࠣߒޔ࠼

࡜࠶ࠣ & ࠼ࡠ࠶ࡊኻᔕࠕࡊ࡝ࠤ࡯࡚ࠪࡦߩ㐿޿ߡ

޿ࠆ࠙ࠖࡦ࠼࠙ߦ࠼ࡠ࠶ࡊߒ߹ߔޕ

ࠝࡉࠫࠚࠢ࠻ߩォㅍ

ߎߩ࠮࡚ࠢࠪࡦߢߪޔࠢ࡝࠶ࡊࡏ࡯࠼߹ߚߪ࠼࡜࠶

ࠣ & ࠼ࡠ࠶ࡊࠍ૶↪ߒߡࠝࡉࠫࠚࠢ࠻ࠍ 1 ߟߩ࠼

ࠠࡘࡔࡦ࠻߆ࠄ೎ߩ࠼ࠠࡘࡔࡦ࠻ߦォㅍߔࠆ㓙ߩޔ Chem & Bio Draw 12.0 ߩ޿ߊߟ߆ߩᯏ⢻ߩേ૞ߦߟ

޿ߡ⺑᣿ߒ߹ߔޕ

⥄േࠬࠤ࡯࡝ࡦࠣ

ࠝࡉࠫࠚࠢ࠻ࠍォㅍߔࠆߣޔォㅍవ࠼ࠠࡘࡔࡦ࠻ߩ

࠼ࠠࡘࡔࡦ࠻⸳ቯߦวࠊߖߡࠝࡉࠫࠚࠢ࠻߇᜛ᄢ߹

ߚߪ❗ዊߐࠇ߹ߔޕ

⚿ว

᭴ㅧᑼࠍ೎ߩ࠼ࠠࡘࡔࡦ࠻ߦࠦࡇ࡯ ( ߹ߚߪ⒖േ ) ߔࠆߣޔᣂߒ޿࠼ࠠࡘࡔࡦ࠻ߩ࿕ቯ㐳ߩ୯߇᭴ㅧᑼ ߦㆡ↪ߐࠇ߹ߔޕߒ߆ߒޔ❗ዤ₸ߪ⛽ᜬߐࠇ߹ߔޕ ߚߣ߃߫ޔ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߢ࿕ቯ㐳߇ 1.0 cm ߦ

⸳ቯߐࠇߡ޿ࠆߣߒ߹ߔޕࡌࡦ࠯ࡦⅣߩࠨࠗ࠭ࠍ

200% ߦᄌᦝߔࠆߣޔ⚿ว㐳ߪ 2.0 cm ߦߥࠅ߹ߔޕ

ォㅍవ࠼ࠠࡘࡔࡦ࠻ߢޔ࿕ቯ㐳߇ 1.7 cm ߦ⸳ቯߒߡ

޽ࠆ႐วޔߎߩࡌࡦ࠯ࡦⅣࠍォㅍవ࠼ࠠࡘࡔࡦ࠻ߦ

⾍ࠅઃߌࠆߣޔ⚿วߪ 2 ୚ߦ᜛ᄢߐࠇޔᦨ⚳⊛ߥ⚿

ว㐳ߪ 3.4 cm ߦߥࠅ߹ߔ

ේሶ࡜ࡌ࡞

ේሶ࡜ࡌ࡞߽ޔ೨㗄ߢ⺑᣿ߒߚ⚿วߣห᭽ߦ᜛ᄢ߹

ߚߪ❗ዊߐࠇ߹ߔޕߚߣ߃߫ޔ࠰࡯ࠬ࠼ࠠࡘࡔࡦ࠻

ߢේሶ࡜ࡌ࡞ߩࡈࠜࡦ࠻ࠨࠗ࠭߇ 16 ࡐࠗࡦ࠻ߦ⸳

ቯߐࠇߡ޿ࠆߣߒ߹ߔޕ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ౝߩ 1 ߟ߹ߚߪ 2 ߟߩේሶ࡜ࡌ࡞ߩࠨࠗ࠭ࠍ 8 ࡐࠗࡦ࠻ߦ ᄌᦝߔࠆߣޔߘߩ୚₸ߪ 8/16ޔߔߥࠊߜ 0.5 ߦߥࠅ

߹ߔޕォㅍవ࠼ࠠࡘࡔࡦ࠻ߩේሶ࡜ࡌ࡞ߩࡈࠜࡦ࠻

ࠨࠗ࠭ߪ 14 ࡐࠗࡦ࠻ߦ⸳ቯߐࠇߡ޿߹ߔޕォㅍవ࠼

ࠠࡘࡔࡦ࠻ߦේሶ࡜ࡌ࡞߇⾍ࠅઃߌࠄࠇࠆߣޔࡈࠜ

ࡦ࠻ ࠨࠗ࠭ߪ୚₸ 0.5 ߢ❗ዊߐࠇޔේሶ࡜ࡌ࡞ߩᦨ

⚳⊛ߥࡈࠜࡦ࠻ ࠨࠗ࠭ߪ 7 ࡐࠗࡦ࠻ߦߥࠅ߹ߔޕ

࠲ࠗ࠻࡞

Chem & Bio Draw 12.0 ߢߪޔ࠲ࠗ࠻࡞ߦ߽⥄േࠬ

ࠤ࡯࡝ࡦࠣ߇ㆡ↪ߐࠇޔ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ਛߩ࿕

ቯ㐳ߦኻߔࠆォㅍవ࠼ࠠࡘࡔࡦ࠻ߩ࿕ቯ㐳ߩᲧ₸ߦ

࠲ࠗ࠻࡞ߩࡈࠜࡦ࠻ ࠨࠗ࠭ࠍਸ਼ߓߚࠨࠗ࠭ߦߥࠆ ࠃ߁ߦᏱߦ⥄േ⺞▵ߐࠇ߹ߔޕ࠲ࠗ࠻࡞ߩࡈࠜࡦ࠻

ࠨࠗ࠭ߪછᗧߢޔ^Settings࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߩ⸳

ቯߣߪή㑐ଥߢߔޕߎߩߚ߼ޔ⾍ࠅઃߌࠄࠇࠆ⚿ว ߦኻߔࠆ࠲ࠗ࠻࡞ߩᲧ₸ߪᔅߕ৻ቯߦ଻ߚࠇ߹ߔޕ ߚߣ߃߫ޔ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߩ࿕ቯ㐳߇ 1.0 cmޔ ォㅍవ࠼ࠠࡘࡔࡦ࠻ߩ࿕ቯ㐳߇ 2.0 cmޔ⾍ࠅઃߌࠆ

࠲ࠗ࠻࡞߇ 12 ࡐࠗࡦ࠻ߩ႐วޔ⥄േࠬࠤ࡯࡝ࡦࠣ߇ ⴕࠊࠇߚᓟߩ࠲ࠗ࠻࡞ߩࠨࠗ࠭ߪ (2.0 cm/1.0 cm) x

12ࡐࠗࡦ࠻ = 24 ࡐࠗࡦ࠻ߦߥࠅ߹ߔޕ

㕖⚿วࠝࡉࠫࠚࠢ࠻ߣ⦡

⍫ශޔࡏ࠶ࠢࠬߥߤޔDocument Settings࠳ࠗࠕࡠ

ࠣ ࡏ࠶ࠢࠬߩ⸳ቯߦᓇ㗀ߐࠇߥ޿ߔߴߡߩࠝࡉ

ࠫࠚࠢ࠻ߦߟ޿ߡߪޔ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߢߩ⚿ว ߦኻߔࠆᲧ₸߇⛽ᜬߐࠇࠆࠃ߁ߦ᜛ᄢ߹ߚߪ❗ዊߐ ࠇ߹ߔޕ

ㆬᛯኻ⽎ߢ૶↪ߐࠇߡ޿ࠆ⦡߇ォㅍవ࠼ࠠࡘࡔࡦ࠻

ߩࠞ࡜࡯ ࡄ࡟࠶࠻ߦߥ޿႐วߪޔ೨᥊⦡ߣ⢛᥊⦡ߩ ႐วࠍ㒰߈ޔ⾍ࠅઃߌᓟޔߘߩ⦡߇ォㅍవߩࠞ࡜࡯

ࡄ࡟࠶࠻ߦㅊടߐࠇ߹ߔ (ᦨᄢߢ 20 ⦡߹ߢ)ޕォㅍ వ࠼ࠠࡘࡔࡦ࠻ߢߪޔ⢛᥊⦡ߪᄌൻߖߕޔ೨᥊⦡ߢ

⦡߇ઃߌࠄࠇߚߔߴߡߩࠝࡉࠫࠚࠢ࠻ߩ⦡ߪォㅍవ

࠼ࠠࡘࡔࡦ࠻ߩ೨᥊⦡ߦᄌᦝߐࠇ߹ߔޕ

ⓨߩ࠼ࠠࡘࡔࡦ࠻߳ߩ⾍ࠅઃߌ

Chem & Bio Draw 12.0 ߩឬ↹ࠍⓨߩ࠼ࠠࡘࡔࡦ࠻ߦ

⾍ࠅઃߌࠆ႐วޔ࠼ࠠࡘࡔࡦ࠻㑆ߩ⸳ቯ߇⇣ߥߞߡ

޿ࠆߣ߈ߪޔChange Settings࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬ

߇⴫␜ߐࠇ߹ߔޕ

࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯߦวࠊߖߡォㅍవ࠼

ࠠࡘࡔࡦ࠻ߩ⸳ቯࠍᄌᦝߔࠆߦߪޔChange Settings ࠍࠢ࡝࠶ࠢߒ߹ߔޕ

ォㅍవߩߐ߹ߑ߹ߥ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯ߇ޔߔߴߡ

࠰࡯ࠬ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯߦวࠊߖߡᄌᦝߐࠇ߹

ߔޕ߹ߚޔォㅍవ࠼ࠠࡘࡔࡦ࠻ߩࠞ࡜࡯ ࡄ࡟࠶࠻ߩ

ߔߴߡߩ⦡߇ޔ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯߦวࠊߖ ߡᄌᦝߐࠇ߹ߔޕ

࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻ߩࠝࡉࠫࠚࠢ࠻ࠍォㅍవ࠼

ࠠࡘࡔࡦ࠻ߩ⸳ቯ୯ߦวࠊߖߡ᜛ᄢ߹ߚߪ❗ዊߔࠆ ߦߪޔDon’t Change Settingsࠍࠢ࡝࠶ࠢߒ߹ߔޕ ೨ㅀߒߚᲧ₸ߢޔࠝࡉࠫࠚࠢ࠻ߩࠨࠗ࠭߇ޔ࠰࡯ࠬ

࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯ߆ࠄォㅍవ࠼ࠠࡘࡔࡦ࠻ߩ⸳ቯ ߦวࠊߖߡᄌᦝߐࠇ߹ߔޕ

NOTE: ࠰࡯ࠬ ࠼ࠠࡘࡔࡦ࠻߇ࡃ࡯࡚ࠫࡦ 3.0 ࠃࠅ

೨ߩ ChemDraw ߢ૞ᚑߐࠇߚ߽ߩߢ޽ࠆ႐วޔ࠳ࠗ

ࠕࡠࠣ ࡏ࠶ࠢࠬߦߪ “Unknown” ߣ޿߁࠼ࠠࡘࡔࡦ

࠻ฬ߇⴫␜ߐࠇ߹ߔޕ

ࠝࡉࠫࠚࠢ࠻ߩၒ߼ㄟߺ (Windows )

Chem & Bio Draw 12.0 ߪ Windows ߢ Object Linking

and Embedding (OLE) ࡊࡠ࠻ࠦ࡞ࠍࠨࡐ࡯࠻ߒ߹ߔޕ

ߎࠇߦࠃࠅޔઁߩ࠲ࠗࡊߩ࠼ࠠࡘࡔࡦ࠻ߦ⾍ࠅઃߌ ࠄࠇߚ᭴ㅧᑼࠍ✬㓸ߔࠆߎߣ߇ߢ߈߹ߔޕChem &

Bio Draw 12.0 ߪ OLE ࠨ࡯ࡃߣߒߡᯏ⢻ߒ߹ߔޕOLE ࠨ࡯ࡃߢ૞ᚑߒߚࠝࡉࠫࠚࠢ࠻ߪޔઁߩ OLE ࠢ࡜ࠗ

ࠕࡦ࠻ ࠕࡊ࡝ࠤ࡯࡚ࠪࡦߦኻߒߡࠦࡇ࡯ & ⾍ࠅઃ

ߌࠍⴕ߁ߎߣ߇ߢ߈߹ߔޕ

Chem & Bio Draw 12.0 ߆ࠄޔOLEࠍࠨࡐ࡯࠻ߔࠆ೎

ߩ࠲ࠗࡊߩ࠼ࠠࡘࡔࡦ࠻ߦឬ↹ࠍォㅍߒߚ႐วߪޔ

ࠢ࡜ࠗࠕࡦ࠻ ࠕࡊ࡝ࠤ࡯࡚ࠪࡦౝߢߘߩឬ↹ࠍ㐿

޿ߡ✬㓸ߢ߈߹ߔޕ

ߚߣ߃߫ޔࡃ࡯࡚ࠫࡦ 6.0 એ਄ߩ Microsoft Word

(Windows )࠼ࠠࡘࡔࡦ࠻ߦᝌ౉ߐࠇߚឬ↹ࠍ✬㓸

ߔࠆߦߪޔᰴߩ޿ߕࠇ߆ߩᠲ૞ࠍታⴕߒ߹ߔޕ

• Word ਄ߢឬ↹ࠍㆬᛯߒޔ^Edit ࡔ࠾ࡘ࡯ߩ ^CS

ChemDraw Drawing Objectࠍࠢ࡝࠶ࠢߒ߹ߔޕ

• ↹௝ࠍ࠳ࡉ࡞ࠢ࡝࠶ࠢߒ߹ߔޕ

Wordߩ࠷࡯࡞ߣࡔ࠾ࡘ࡯ߦઍࠊߞߡޔChem & Bio

Draw 12.0 ߩ࠷࡯࡞ߣࡔ࠾ࡘ࡯߇⴫␜ߐࠇ߹ߔޕ࠷࡯

࡞ࠍ૶↪ߒߡ↹௝ࠍ✬㓸ߒ߹ߔޕ

ᄌᦝ߇ቢੌߒߚࠄޔWord ࠼ࠠࡘࡔࡦ࠻ౝߩ೎ߩㇱ ಽࠍࠢ࡝࠶ࠢߒ߹ߔޕWordߩ࠷࡯࡞ߣࡔ࠾ࡘ࡯߇ రㅢࠅߦ⴫␜ߐࠇ߹ߔޕ

ࠣ࡜ࡈࠖ࠶ࠢ ࠝࡉࠫࠚࠢ࠻ߩ✬㓸 (Macintosh )

Chem & Bio Draw 12.0 ߪ Edit Graphic Object (EGO) ࡊࡠ࠻ࠦ࡞ࠍࠨࡐ࡯࠻ߒߡ߅ࠅޔઁߩ࠲ࠗࡊߩ࠼

ࠠࡘࡔࡦ࠻ߦ⾍ࠅઃߌࠄࠇߚ᭴ㅧᑼࠍ✬㓸ߔࠆߎߣ ߇ߢ߈߹ߔޕChem & Bio Draw 12.0 ߩࠝࡉࠫࠚࠢ࠻

ࠍ࠼࡜࠶ࠣߔࠆ߆ޔ߹ߚߪࠢ࡝࠶ࡊࡏ࡯࠼ࠍ૶↪ߒ ߡޔEGO ࡊࡠ࠻ࠦ࡞ࠍࠨࡐ࡯࠻ߔࠆઁߩ࠲ࠗࡊߩ࠼

ࠠࡘࡔࡦ࠻ߦࠦࡇ࡯ߒߚ႐วޔߘߩࠝࡉࠫࠚࠢ࠻ࠍ

࠳ࡉ࡞ࠢ࡝࠶ࠢߔࠆߣޔChem & Bio Draw 12.0 ߩ࠼

ࠠࡘࡔࡦ࠻ ࠙ࠖࡦ࠼࠙ߦ⴫␜ߐࠇ߹ߔޕ࠼ࠠࡘࡔࡦ

࠻ ࠙ࠖࡦ࠼࠙ࠍ㐽ߓࠆߣޔታⴕߒߚᄌᦝ߇ઁߩ࠼

ࠠࡘࡔࡦ࠻ߦ෻ᤋߐࠇ߹ߔޕ

NOTE: ⃻ᤨὐߢޔMicrosoft Word 5.0 એ㒠ߩࡃ࡯

࡚ࠫࡦߪ EGO ࠍࠨࡐ࡯࠻ߒߡ޿߹ߖࠎޕ

PostScript ࠺࡯࠲ߩォㅍ (Macintosh )

Chem & Bio Draw 12.0 ߢߪޔPostScript ࡊ࡝ࡦ࠲ߢᦨ 㜞ߩ↹⾰߇ᓧࠄࠇࠆࠃ߁ߦޔ↹㕙⴫␜↪ߣ PostScript

↪ߩ 2 ⒳㘃ߩឬ↹߇૞ᚑߐࠇ߹ߔޕ

ઁߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦߦࠦࡇ࡯߅ࠃ߮⾍ࠅઃߌࠍ ⴕߞߚߣ߈ߦޔᏱߦᦨ㜞ߩ↹⾰ߢශ೚ࠍⴕ߁ߚ߼ߦ ߪޔInclude PostScriptߣInclude ChemDraw Laser Prepߩ⹦⚦⸳ቯࠍਔᣇߣ߽ࠝࡦ (࠺ࡈࠜ࡞࠻⸳ቯ) ߦߒߡ߅ߊߎߣࠍ߅൘߼ߒ߹ߔޕ

PostScript ࡊ࡝ࡦ࠲ߢශ೚ߒߥ޿႐วޔ߹ߚߪ PostScript ࡊ࡝ࡦ࠲ࠍ೑↪ߔࠆઁߩੱߦ࠼ࠠࡘࡔࡦ࠻ࠍᷰߐߥ

޿ߣࠊ߆ߞߡ޿ࠆ႐วߪޔߎߩ⸳ቯࠍ⸃㒰ߒߡ߽߆߹

޿߹ߖࠎޕ

PostScript ߩ⹦⚦⸳ቯࠍ⸃㒰ߔࠆߦߪޔᰴߩᠲ૞ࠍ

ⴕߞߡߊߛߐ޿ޕ

1. Fileࡔ࠾ࡘ࡯ߩPreferencesࠍࠢ࡝࠶ࠢߒ߹ߔޕ 2. Include PostScript ߣ Include ChemDraw

LaserPrepߩਔᣇߩㆬᛯࠍ⸃㒰ߒ߹ߔޕ

ዋᢙߩ↹௝ߩߺࠍ೎ߩ࠼ࠠࡘࡔࡦ࠻ߦォㅍߔࠆߦ ߪޔPreferences ࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߩ ^Include PostScript߅ࠃ߮Include ChemDraw Laser Prepࠍ ㆬᛯߒ߹ߔޕ

ߎߩ႐วޔฦ↹௝ߣ౒ߦ PostScript ࠦࡑࡦ࠼ߣ

ChemDraw Laser Prep ߩਔᣇ߇ォㅍߐࠇ߹ߔޕߎߩᣇ

ᴺߢォㅍߒߚឬ↹ߪޔChem & Bio Draw 12.0 ࠍ૶↪

ߒߥߊߡ߽ශ೚ߢ߈߹ߔޕ

PostScript ࡊ࡝ࡦ࠲ߢߩශ೚ᤨߦInclude PostScript

࠴ࠚ࠶ࠢ ࡏ࠶ࠢࠬ߇ࠝࡦߦߥߞߡ޿ߥ޿႐วޔ Chem & Bio Draw 12.0 ߪ QuickDraw ࠦࡑࡦ࠼ࠍࡊ࡝

ࡦ࠲ߦㅍࠅ߹ߔޕ⹦⚦ߦߟ޿ߡߪޔ150ࡍ࡯ࠫߩޟ⢛

᥊⦡ߩශ೚ޠࠍෳᾖߒߡߊߛߐ޿ޕ

NOTE: ࡊ࡝ࡦ࠲ߩೋᦼൻ߇ߢ߈ߥ޿㔌ࠇߚ႐ᚲߩ

࠼ࠠࡘࡔࡦ࠻ߦ↹௝ࠍォㅍߔࠆߎߣ߽ߢ߈߹ߔޕ

㕖 PostScript ࡊ࡝ࡦ࠲ߢශ೚ߔࠆߦߪޔPreferences

࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߩ ^General ࠲ࡉߢ ^Include PostScript߅ࠃ߮Include ChemDraw Laser Prepߩ ㆬᛯࠍ⸃㒰ߒ߹ߔޕ

ࠛࠢࠬࡐ࡯࠻

Chem & Bio Draw 12.0 ߩឬ↹ߪޔߐ߹ߑ߹ߥࡈࠔࠗ

࡞ᒻᑼߢࠛࠢࠬࡐ࡯࠻ߒߡޔઁߩࠕࡊ࡝ࠤ࡯࡚ࠪࡦ ߢ㐿ߊߎߣ߇ߢ߈߹ߔޕㅒ߽ห᭽ߢޔChem & Bio

Draw 12.0 ߪߐ߹ߑ߹ߥࡈࠔࠗ࡞ᒻᑼࠍ⹺⼂ߒޔઁߩ

ࠕࡊ࡝ࠤ࡯࡚ࠪࡦߢ૞ᚑߐࠇߚ࠼ࠠࡘࡔࡦ࠻ࠍ㐿ߊ ߎߣ߇ߢ߈߹ߔޕ

ࡈࠔࠗ࡞ߦࠛࠢࠬࡐ࡯࠻ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞ ߡߊߛߐ޿ޕ

1. Fileࡔ࠾ࡘ࡯ߩ^{Save As}ࠍࠢ࡝࠶ࠢߒ߹ߔޕ

2. Save As࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߢޔᰴߩᠲ૞ߩ޿

ߕࠇ߆ࠍታⴕߒ߹ߔޕ

a. ࡈࠔࠗ࡞ฬࠍ౉ജߒߡޔࡈࠔࠗ࡞ߩ଻ሽ႐ᚲ ࠍㆬᛯߒ߹ߔޕGo To ChemDraw Itemsࠍ૶

↪ߔࠆߣޔChemDraw Items ࡈࠜ࡞࠳ࠍߔ߫

߿ߊᬌ⚝ߔࠆߎߣ߇ߢ߈߹ߔޕ b. ࡈࠔࠗ࡞ᒻᑼࠍㆬᛯߒ߹ߔޕ c. OK߹ߚߪ^Saveࠍࠢ࡝࠶ࠢߒ߹ߔޕ ࡈࠔࠗ࡞ᒻᑼߦࠃߞߡߪޔ࠾࠶ࠢࡀ࡯ࡓ߹ߚߪ᭴ㅧ ᑼࡈ࡜ࠣࡔࡦ࠻ࠍ฽߻ේሶ࡜ࡌ࡞߇૶↪ߢ߈ߥ޿႐ ว߇޽ࠅ߹ߔޕߎߩࠃ߁ߥᒻᑼߢࡈࠔࠗ࡞ࠍ଻ሽߔ ࠆߣޔChem & Bio Draw 12.0 ߪߔߴߡߩේሶ࡜ࡌ࡞

ࠍዷ㐿ߒޔዷ㐿ߒߚᒻᑼߢࡈࠔࠗ࡞ࠍ଻ሽߒ߹ߔޕ એਅߩᒻᑼߪ࠾࠶ࠢࡀ࡯ࡓ߿᭴ㅧᑼࡈ࡜ࠣࡔࡦ࠻ࠍ ࠨࡐ࡯࠻ߒߡ޿߹ߖࠎޕ

• Connection Table

• MSI MolFile

• SMD

NOTE: Chem & Bio Draw 12.0 ߩ⵾ຠߩ⒳㘃ߦࠃࠅޔ

৻ⷩߦ␜ߒߚᒻᑼߩ৻ㇱ߇ࠨࡐ࡯࠻ߐࠇߡ޿ߥ޿႐ ว߇޽ࠅ߹ߔޕ

ᒻᑼߦࠃࠅޔ⇣ߥࠆࠝࡊ࡚ࠪࡦߢ଻ሽߔࠆߎߣ߇ߢ ߈ ߹ ߔޕ଻ ሽ ࠝ ࡊ ࠪ ࡚ ࡦ ߇ ߥ ޿ ᒻ ᑼ ߩ ႐ ว ߪޔ

Options߇ࠣ࡟࡯⴫␜ߦߥࠅ߹ߔޕએਅߩ࠹ࠠࠬ࠻

ࡌ࡯ࠬᒻᑼߪޔText Optionsࠍ૶↪ߔࠆߎߣ߇ߢ߈

߹ߔޕ

• ChemDraw XML

• CML

• Connection Table

• ISIS/TGF

• ISIS/Reactions

• MDL MolFile

• Accelrys MolFile

• SMD

ઁߩᒻᑼߩࠝࡊ࡚ࠪࡦߪᒻᑼߩ⺑᣿ߦ⸥タߐࠇߡ޿

߹ߔޕ

ࠗࡦࡐ࡯࠻

ࠣ࡜ࡈࠖ࠶ࠢ߹ߚߪ࠼ࠠࡘࡔࡦ࠻ࠍઁߩࠕࡊ࡝ࠤ࡯

࡚ࠪࡦ߆ࠄ Chem & Bio Draw 12.0 ߦࠗࡦࡐ࡯࠻ߔࠆ ߎߣ߇ߢ߈߹ߔޕ

ࠝࡉࠫࠚࠢ࠻

ᝌ౉ߐࠇࠆࠝࡉࠫࠚࠢ࠻ߪ OLE ࡈࠔࠗ࡞ߢ޽ࠅޔࠝ

ࡉࠫࠚࠢ࠻ߩࠨࠗ࠭ᄌᦝ߅ࠃ߮࿁ォࠍታⴕߢ߈߹ߔ ߇ޔ෻ォߐߖࠆߎߣߪߢ߈߹ߖࠎޕࠝࡉࠫࠚࠢ࠻ߪ ၒ߼ㄟ߹ࠇࠆߚ߼ޔឬ↹࠙ࠖࡦ࠼࠙ౝ߆ࠄࡀࠗ࠹ࠖ

ࡉ ࠕࡊ࡝ࠤ࡯࡚ࠪࡦߢ✬㓸ߢ߈߹ߔޕ ࡈࠔࠗ࡞

ࡈࠔࠗ࡞ࠍᝌ౉ߔࠆߣޔߘߩࡈࠔࠗ࡞ߪឬ↹ߩ৻ㇱ ߣߥࠅ߹ߔޕ✬㓸ߢ߈ࠆߩߪޔChem & Bio Draw 12.0 ᒻᑼߩ႐วߦ㒢ࠄࠇ߹ߔޕ

ࡈࠔࠗ࡞ࠍᝌ౉ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡߊߛ ߐ޿ޕ

1. Editࡔ࠾ࡘ࡯ߩInsert Fileࠍㆬᛯߒ߹ߔޕ 2. Open࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߩ࠼ࡠ࠶ࡊ࠳࠙ࡦ ࡔ

࠾ࡘ࡯߆ࠄࡈࠔࠗ࡞ᒻᑼࠍㆬᛯߒ߹ߔޕ 3. ࡈࠔࠗ࡞ࠍㆬᛯߒߡ^Openࠍࠢ࡝࠶ࠢߒ߹ߔޕㆬ

ᛯߒߚࡈࠔࠗ࡞߇ឬ↹ߦၒ߼ㄟ߹ࠇ߹ߔޕ

ࠝࡉࠫࠚࠢ࠻ࠍᝌ౉ߔࠆߦߪޔᰴߩᠲ૞ࠍⴕߞߡߊ ߛߐ޿ޕ

1. Edit ࡔ࠾ࡘ࡯ߩ Insert Object ࠍࠢ࡝࠶ࠢߒ

߹ߔޕ

2. Insert Object ࠳ࠗࠕࡠࠣ ࡏ࠶ࠢࠬߢޔ^Create from Fileࠍࠢ࡝࠶ࠢߒ߹ߔޕ

3. ᝌ౉ߔࠆࡈࠔࠗ࡞ࠍෳᾖߒޔ^OKࠍࠢ࡝࠶ࠢߒ

߹ߔޕ

NOTE: All filesࡈࠔࠗ࡞ᒻᑼࠍㆬᛯߒߡޔChem &

Bio Draw 12.0 ߇ࠨࡐ࡯࠻ߒߡ޿ߥ޿ࡈࠔࠗ࡞ᒻᑼ

(TXTߥߤ)ࠍㆬᛯߔࠆߣޔࠛ࡜࡯ࡔ࠶࠮࡯ࠫ߇⴫␜

ߐࠇޔࡈࠔࠗ࡞ߪၒ߼ㄟ߹ࠇ߹ߖࠎޕ

ᣂߒ޿ࠝࡉࠫࠚࠢ࠻ࠍ૞ᚑߔࠆߦߪޔᰴߩᠲ૞ࠍ ⴕߞߡߊߛߐ޿ޕ

1. Edit ࡔ࠾ࡘ࡯ߩ Insert Object ࠍࠢ࡝࠶ࠢߒ

߹ߔޕ

1. Create Newࠍࠢ࡝࠶ࠢߒ߹ߔޕ 2. Object Typeࠍㆬᛯߒ߹ߔޕ 3. OKࠍࠢ࡝࠶ࠢߒ߹ߔޕ

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