Difference between revisions of "Talk:20.109(S17):Module 1"
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MAXINE JONAS (Talk | contribs) (→.gal files for SMM screen data analysis) |
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<div style="padding: 10px; width: 790px; border: 5px solid #6633CC;"> | <div style="padding: 10px; width: 790px; border: 5px solid #6633CC;"> | ||
| − | == | + | ==GAL and TIF files for SMM screen data analysis== |
[[Media:S17 GAL WithSmiles.zip| Here]] are the class's .gal files. | [[Media:S17 GAL WithSmiles.zip| Here]] are the class's .gal files. | ||
| + | |||
| + | You can find your scan images and set number(s) in this table:<br> | ||
| + | {| border=1px | ||
| + | |'''team''' | ||
| + | |'''slide1''' | ||
| + | |'''slide2''' | ||
| + | |- | ||
| + | |colspan=3|'''T/R''' | ||
| + | |- | ||
| + | |red | ||
| + | |[[Media:14399983 A1.tif|14399983]], set 1 | ||
| + | |[[Media:14400077 A1.tif|14400077]], set 4 | ||
| + | |- | ||
| + | |yellow | ||
| + | |[[Media:14400113 A1.tif|14400113]], set 2 | ||
| + | |[[Media:14400139 A1.tif|14400139]], set 3 | ||
| + | |- | ||
| + | |green | ||
| + | |[[Media:14400114 A1.tif|14400114]], set 2 | ||
| + | |[[Media:14400140 A1.tif|14400140]], set 3 | ||
| + | |- | ||
| + | |blue | ||
| + | |[[Media:14399984 A1.tif|14399984]], set 5 | ||
| + | |[[Media:14399988 A1.tif|14399988]], set 6 | ||
| + | |- | ||
| + | |pink | ||
| + | |[[Media:14400072 A1.tif|14400072]], set 5 | ||
| + | |[[Media:14399987 A1.tif|14399987]], set 6 | ||
| + | |- | ||
| + | |purple | ||
| + | |[[Media:14399983 A1.tif|14399983]], set 1 | ||
| + | |[[Media:14400128 A1.tif|14400128]], set 7 | ||
| + | |- | ||
| + | |white | ||
| + | |[[Media:14400077 A1.tif|14400077]], set 4 | ||
| + | |[[Media:14399959 A1.tif|14399959]], set 8 | ||
| + | |- | ||
| + | |colspan=3|'''W/F''' | ||
| + | |- | ||
| + | |red | ||
| + | |[[Media:14400129 A1.tif|14400129]], set 7 | ||
| + | |[[Media:14400081 A1.tif|14400081]], set 9 | ||
| + | |- | ||
| + | |yellow | ||
| + | |[[Media:14400128 A1.tif|14400128]], set 7 | ||
| + | |[[Media:14399959 A1.tif|14399959]], set 8 | ||
| + | |- | ||
| + | |green | ||
| + | |[[Media:14400143 A1.tif|14400143]], set | ||
| + | |[[Media:14399950 A1.tif|14399950]], set | ||
| + | |- | ||
| + | |blue | ||
| + | |[[Media:14400147 A1.tif|14400147]], set | ||
| + | |[[Media:14399951 A1.tif|14399951]], set | ||
| + | |- | ||
| + | |pink | ||
| + | |[[Media:14400146 A1.tif|14400146]], set | ||
| + | |[[Media:14399947 A1.tif|14399947]], set | ||
| + | |- | ||
| + | |purple | ||
| + | |[[Media:14399980 A1.tif|14399980]], set | ||
| + | |[[Media:14400082 A1.tif|14400082]], set | ||
| + | |} | ||
==CSV and pivot tables for Rob== | ==CSV and pivot tables for Rob== | ||
Revision as of 21:37, 2 March 2017
Contents
GAL and TIF files for SMM screen data analysis
Here are the class's .gal files.
You can find your scan images and set number(s) in this table:
| team | slide1 | slide2 |
| T/R | ||
| red | 14399983, set 1 | 14400077, set 4 |
| yellow | 14400113, set 2 | 14400139, set 3 |
| green | 14400114, set 2 | 14400140, set 3 |
| blue | 14399984, set 5 | 14399988, set 6 |
| pink | 14400072, set 5 | 14399987, set 6 |
| purple | 14399983, set 1 | 14400128, set 7 |
| white | 14400077, set 4 | 14399959, set 8 |
| W/F | ||
| red | 14400129, set 7 | 14400081, set 9 |
| yellow | 14400128, set 7 | 14399959, set 8 |
| green | 14400143, set | 14399950, set |
| blue | 14400147, set | 14399951, set |
| pink | 14400146, set | 14399947, set |
| purple | 14399980, set | 14400082, set |
CSV and pivot tables for Rob
T/R
Yellow
14400113 spot intensities.csv
14400139 spot intensities.csv
Green
14400114 A1-2.csv
14400140-A1-3.csv
Blue
14399984 5SpotIntensity workbook.xlsx
14399988-6 workbook.xlsx
Pink
emailed to Rob by Jessica Wu
File:14400072 new.xlsx
File:14399987 new.xlsx
White
Media:14400077 spot intensities.csv
Media:14399959 spot intensities.csv
Red
Media:14400077-4.csv
Media:14399983-1.csv
SMILES of hits
Copy/paste below the SMILES describing your hits, from the A column of your Excel pilot table.
They look like CNCCN1[C@@H]2CCN(C[C@@H]2CCC1=O)CC3=CC=CS3, for instance.
T/R
Red
14399988:
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
C1CN(CCC12[C@@H](C[C@@H]2OCCO)O)CC3=C(C=C(C=C3)C(F)(F)F)F
CN(C)C1=NC(=NC2=C1CCN(C2)C(=O)[C@H]3CCCN3)C4=CC=CC=C4
C1COC2=C(CN1CC3=CC=C(C=C3)O)C=C(C=C2O)C4=CC(=CC=C4)Cl
CC(=O)N[C@@H]1CN(C[C@H]1C2=CC=C(C=C2)OC)C(=O)CCC3=CN=CC=C3
1400077:
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
CC1=NC2=CC=CC=C2N(C1=O)CC(=O)N3CC[C@@H]4[C@H]3CNC4
CNC1=NC2=C(C=CN2)C(=C1)C3=NC=C(C=C3)CN
CN(C)CC1(CCN(C1)CC2=CC(=C(C=C2)O)C(=O)O)O
CCNC(=O)[C@@H]1C[C@H](CN1C(=O)CSC2=NC=NC3=C2C=C(S3)C)N
Yellow
14400139:
CCN(CCO)C[C@@H]1CN(C[C@@H]1CO)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C
CCC1=C(C2=CC(=CC(=C2N1)CNC(=O)C3=CC(=NC=C3)N)F)C
COC\1=CC(=O)C=C/C1=C/2\C3=C(C4=C(C3)C(=CC=C4)O)NC(=C2C#N)N
CCCOC1=C(C=C(C=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC(=NO3)C)Cl
CC1=NN(C(=N1)[C@H](CC2=CC=C(C=C2)O)N)C3=CC=CC4=C3N=CC=C4
14400113:
C1CN(CCC12CC(=O)N(C2)CC3=CC=C(C=C3)Cl)C(=O)[C@@H]4C[C@H](CN4)O
CCOC(=O)C1=COC(=N1)N2CC[C@H]([C@@H](C2)O)N(C)CCC3=CC=CC=N3
CN(C)C[C@@H]1CN(C[C@@H]1CO)C(=O)C2=CC(=CC(=C2)OC)OC
CCC[C@@H]1CN(C[C@H]1NS(=O)(=O)C)C2=NN=NN2C3=CC=CC=C3
COC1=C(C=CC(=C1)CNCCN2CCNC2=O)OCC(CN3CCCCCCC3)O
Green
Top 10 hits across slides 14400114 and 14400140
CCN1C(=CC=N1)S(=O)(=O)N2C[C@@H]3C4=CC=CC=C4OC[C@@]3(C2)C(=O)O
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
CCN(CC1=CC=C(C=C1)C(=O)NC2=C(C=CS2)C#N)[C@H]3COC[C@@H]3O
CC1=C(C(=CC=C1)Cl)S(=O)(=O)NC2=C(N(N=C2C)CC(=O)O)C
CC(=O)NCCNCC1=C(C=C(C=C1)OC)OCC(CN2CCCC2)O
CN1C2=C(C=C(C=C2)C(=O)NCC(F)(F)F)N=C1N3CC[C@@H](C3)O
COC1=C(C=CC(=C1)CNCCN2CCNC2=O)OCC(CN3CCCCCCC3)O
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
CCCC1=NC(=CC(=N1)N2C[C@H]([C@H](C2)CO)CN3CCCCCC3)C
CN1CCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CC(=CS3)CN(C)C
Visualization of top 5: Green Team Top 5 Smiles .cds
Blue
14399984:
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
C1C[C@@H]([C@@H]1N)NC(=O)C2=CC3=CC=CC=C3OC=C2
CC1=C(C=CC(=C1)Cl)NC(=O)N2C[C@@H]3CC[C@H](C2)N(C3)C
C1CCCN(CC1)C[C@@H]2CN(C[C@@H]2CO)C(=O)C3=CC(=O)NC(=O)N3
C1=CC(=CN=C1)CNC2=NC3=C(C=CN3)C(=C2)C4=NC=C(C=C4)N
14399988:
C1C(C2=C(NC1=O)N=C(C=C2)N)C3=CN(N=C3)C4=CC=C(C=C4)Cl
CNCCN1[C@@H]2CCN(C[C@@H]2CCC1=O)C(=O)/C=C/C3=CC=CC=C3
O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]4CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O4
C[C@H]([C@@H](C(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3CCC3)N)O
CCN1C=CN=C1C2CCN(CC2)C(=O)CNC(=O)N
Pink
14400072:
C1C(CC2=CC=CC=C21)N3C(=NC(=N3)C4=CC=C(C=C4)C(=O)N)CNC(=O)N
CC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)N3C=NN=C3)N4CCNC4=O
C1CCCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CN=CC=C3
C1=CC(=CN=C1)CNC2=NC3=C(C=CN3)C(=C2)C4=NC=C(C=C4)N
C1=C/C(=C\2/C=C(NC3=C2C=CN3)NCCO)/C=C4C1=CC(=O)C=C4
C1CCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CN=CC=C3
CC1=NC(=O)C=C(N1)C2CCN(CC2)C(=O)[C@@H]3C[C@H]4C[C@@H]3C=C4
C1CN(CC2=C1C(=O)N=C(N2)C3=CC=CC=N3)C(=O)[C@@H]4CC(CN4)(F)F
CN(C)C[C@@H]1CN(C[C@@H]1CO)C(=O)C2=CC(=C(C=C2)N3CCCC3)Cl
C1CCN(CC1)[C@H]2COC[C@@H]2NC3=NC4=C(C=C3)C=CN4
CN1CCN([C@@H]2[C@H]1CS(=O)(=O)C2)C(=O)CC3=CC=CC=C3O
CC1=CN=C(N=C1NC[C@@H]2CCCN3[C@@H]2CCCC3)N
CC(C(=O)O)OC1=C(C=C(C=C1)C2=CC(=NC3=C2C=CN3)N)Cl
CC1=CN=C(N=C1NCC[C@@H]2C[C@H]3C[C@@H]2C=C3)N
C1CCN(CC1)C[C@@H]2CN(C[C@@H]2CO)C(=O)CCCN3C=CN=C3
C1CN(C[C@H]1O)C2=NC3=C(C=CN3)C(=C2)Cl
C1=CC(=CC=C1C2=CC(=NC3=C2C=CN3)N)C4=CSC(=N4)N
C1CCCN(CC1)C[C@@H]2CN(C[C@@H]2CO)C(=O)C3=CC=C(O3)CN4C=CN=C4
14399987:
C1C(C2=C(NC1=O)N=C(C=C2)N)C3=CN(N=C3)C4=CC=C(C=C4)Cl
CN1C[C@H](C[C@H]1C(=O)OC)NC(=O)C2=CNC(=O)C=N2
CC1=CC2=CC=CC=C2N1CCC(=O)N3CCC4(CC3)[C@@H](C[C@@H]4OCCO)O
C1CN(C2=CC=CC=C21)CCCNCC3(CCNC3)O
C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2CN(C3)C(=O)NC4=CC(=CC(=C4F)F)F
CCCC1=CC(=NC(=N1)C)N2CCC(CC2)N[C@H]3CC4=CC=CC=C4[C@@H]3N
COC1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)N3[C@@H]4CC[C@H]3CC(C4)O
CCC1=NC(=C(N1)C)[C@H]2CN(C[C@@H]2C(=O)NCC34CCCN3CCC4)C
COCCNC1=NC2=C(C=CN2)C(=C1)C3=CC=C(C=C3)C4(CCNCC4)O
COC1=NC(=NC(=C1)C2=CC(=NC3=C2C=CN3)NC4CCCC4)N
C1CNCCC1NC2=NC3=C(C=CN3)C(=C2)C4=CC(=CN=C4)C(=O)N
C1CCC(C1)NC2=NC3=C(C=CN3)C(=C2)C4=CC(=CC=C4)CCN
COCCNC1=NC2=C(C=CN2)C(=C1)C3=CC=C(C=C3)C4=CN=C(N4)N
C1[C@H]([C@@H](CN1C(=O)C2=CN=C3N(C2=O)C=CS3)C(=O)O)C4=CC=CC=C4
CC1=C(C=C(C=C1)C(=O)N2CC[C@@H]([C@@H](C2)CCC(=O)O)N3CCN(CC3)C)O
CN1CCN2C[C@H](C[C@H]2C1)NC(=O)C3=CC=CC(=C3)C4=CNN=C4
Purple
White
14400077:
CNC1=NC2=C(C=CN2)C(=C1)C3=NC=C(C=C3)CN
CC1=NC2=CC=CC=C2N(C1=O)CC(=O)N3CC[C@@H]4[C@H]3CNC4
CN(C)CC1(CCN(C1)CC2=CC(=C(C=C2)O)C(=O)O)O
CC(C)CC1=NN(C(=C1)C(=O)N[C@@H](CC(C)C)CO)C
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=NC4=C3C=CN4)NCCO)C(=O)O
C1CCC(C1)NC2=NC3=C(C=CN3)C(=C2)C4=CC=C(C=C4)C5=CN=C(N5)N
COC1=C(C=C(C=C1)C2=CC(=NC3=C2C=CN3)NCCO)C(F)(F)F
CC1=CC=C(C=C1)NC(C)(C2=CC=CC=C2)C(=O)NCCC3=NN=C(S3)N
C1CN(CCC1OC2=CC=CC(=C2)C(F)(F)F)C(=O)C3[C@H]4[C@@H]3CNC4
CN1C[C@@H]2CC[C@@H](N2C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC)CC1=O
C1CCN2C(=NN=C2CNC(=O)C3=CN(N=N3)C4CCC(CC4)N)C1
CN(C)CC1=CSC(=C1)CN2C[C@H]([C@H](C2)CO)CN3CCCCCC3
C1CCCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CC4=C(C=C3)NC=C4
CCNC(=O)C1=CC=CC(=C1)C2=CC(=NC3=C2C=CN3)NCCO
CCN1C=CC2=C(C=CC=C21)CN3[C@@H]4CC[C@H]3CNC(=O)C4
14399959:
CC1=C(N=C(N=C1N2C[C@H]([C@H](C2)CO)CN3CCCCC3)N4CCCC4)C
CC1=C(N=C(N=C1N2C[C@H]([C@H](C2)CO)CN3CCCCCC3)N(C)C)C
CCN(CC)C(=O)[C@@H]1C[C@@H](CN1C)NC(=O)C2=CC3=C(C=C2)OC(=C3)C
C1CC2=CC=CC=C2N(C1)CCNCC3(CCNC3)O
C1CCN(C1)C[C@@H]2CN(C[C@@H]2CO)CC3=CC=CC=N3
CC1=NN(C=C1[C@@H]2C[C@@H](C[C@@H](O2)CCC3=CC=CC=C3)NC(=O)C)CC=C
C1C=CC[C@@H]2[C@H]1CN(C2)C(=O)C3=CC=C(O3)CO
CC1=C(N=CN=C1N2C[C@H]([C@H](C2)CO)CN3CCCC3)C
CCCC1=CN=C(N=C1N2C[C@H]([C@H](C2)CO)CN3CCC(CC3)O)C
CCC1=NN=C(S1)NC(=O)C(=O)N2[C@@H](C=CC[C@H]2CC=C)C
CCC1=C(N=C(N=C1N2C[C@H]([C@H](C2)CO)CN(C)C)C)C
C1CCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CC=CC(=C3)C#N
C[C@@H]1CN(C[C@@H](O1)C)CCC(=O)NCCC2CN(CCO2)C
CC(C)OC1=NC(=NC(=C1)C2=CC(=NC3=C2C=CN3)NCCO)N
CC1=CC=C(O1)CN2C[C@H]([C@H](C2)CO)CN3CCOCC3
CN(C)C[C@@H]1CN(C[C@@H]1CO)CC2=C(N=CC=C2)N
CN(C)[C@@H]1C[C@H](N(C1)C(=O)CSCCN2CCCC2)CO
CN1CCN(CC1)C[C@@H]2CN(C[C@@H]2CO)CC3=CC=CC(=C3)C4=CC=CO4
W/F
Red
Yellow
Green
Blue
Pink
Purple