Commits · aa3caf10416694050e49b40203d4b2b663e8fd3b · Environmental Cheminformatics / shinyscreen

Oct 19, 2019
- Clean server from adduct · aa3caf10
  Todor Kondic authored 5 years ago
  
  aa3caf10
Oct 18, 2019
- Removal of adduct calculator, style changes and UI in a different file · 1ae13ffd
  Todor Kondic authored 5 years ago
  
  1ae13ffd
Oct 17, 2019

Merge branch 'fixadduct' into 'master' · cfe23f02
Todor Kondic authored 5 years ago
```
Fixadduct

See merge request !19
```
adduct-calc

cfe23f02

Todor Kondic authored 5 years ago

The read.csv function has an idiotic addition to automatically
interpret characters such as # as comments. This will, obviously
murder all SMILEs with hashes.

We made an effort to add comment.char='' to each read.csv call.

7eeb1b46

Sep 04, 2019
- Remove stale content from README.org · cf98e7a9
  Todor Kondic authored 5 years ago
  
  Unverified
  
  cf98e7a9
Sep 02, 2019
- Fix a nasty SMILES related bug and remove outdated presc.plot · 3d19e6b7
  Todor Kondic authored 5 years ago
  
  3d19e6b7
Aug 30, 2019
- Merge branch 'fix-cmpd-import' into 'master' · 7b872d28
  Todor Kondic authored 5 years ago
  
  Fix cmpd import See merge request !18
  7b872d28
- Fix formatC NA issue · 4e5d8f94
  Todor Kondic authored 5 years ago
  
  4e5d8f94
- Fix df_kids being zero · 58c20282
  Todor Kondic authored 5 years ago
  
  58c20282
- Work with unique IDs · df1fbb91
  Todor Kondic authored 5 years ago
  
  This is a major update in which shinyscreen was adapted to take a set of existing IDs from a master compound and do what it originally did.
  df1fbb91
Aug 22, 2019
- Merge branch 'devel' into 'master' · 385f10e9
  Todor Kondic authored 5 years ago
  
  Devel See merge request !17
  385f10e9
- Merge branch 'nontarget-lai' into 'devel' · fa97a5a0
  Todor Kondic authored 5 years ago
  
  ability to screen for mass, not SMILES in NT cases; for preProc's QC See merge request !16
  fa97a5a0
Aug 21, 2019
- add MS2 intTresh, other WIP · 3c08df96
  Adelene Lai authored 5 years ago
  
  v.0.1.1-paper
  
  3c08df96
- modify to screen using mass for NT cases · c16af080
  Adelene Lai authored 5 years ago
  
  c16af080
Aug 09, 2019
- Merge branch 'devel' into 'master' · 4eabdea8
  Todor Kondic authored 5 years ago
  
  Devel See merge request !15
  4eabdea8
- Depict with colour · db88d917
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  db88d917
- Merge branch 'integrated' into 'master' · b80968e9
  Todor Kondic authored 5 years ago
  
  Integrate adduc calc into shinyscreen See merge request !14
  b80968e9
- Integrate adduc calc into shinyscreen · 8db26e01
  Hiba Hiba authored 5 years ago and Todor Kondic committed 5 years ago
  
  8db26e01
Aug 08, 2019
- Merge branch 'devel' into 'master' · 2ad1442a
  Todor Kondic authored 5 years ago
  
  Devel See merge request !12
  2ad1442a
- Depict with colour · 0ecebf6b
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  0ecebf6b
Aug 07, 2019
- Merge branch 'devel' into 'master' · 5c6567cc
  Todor Kondic authored 5 years ago
  
  Devel See merge request !11
  5c6567cc
- Depict with colour · e0d5716c
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  e0d5716c
- Merge branch 'layout' into 'master' · b448d285
  Todor Kondic authored 5 years ago
  
  Layout See merge request !10
  b448d285
- Layout · 52cb8362
  Todor Kondic authored 5 years ago
  
  52cb8362
- Merge branch 'hibalayout' into 'master' · 6d174535
  Todor Kondic authored 5 years ago
  
  vertical legend with good font size See merge request !9
  6d174535
- vertical legend with good font size · 74776514
  Todor Kondic authored 5 years ago
  
  74776514
- Merge branch 'devel' into 'master' · f09c4b82
  Todor Kondic authored 5 years ago
  
  Devel See merge request !8
  f09c4b82
- Depict with colour · 765dbfb4
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  765dbfb4
Aug 05, 2019
- Merge branch 'devel' into 'master' · 0559e1a3
  Todor Kondic authored 5 years ago
  
  Devel See merge request !7
  0559e1a3
- Depict with colour · 5a938397
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  5a938397
- Merge branch 'devel' into 'master' · 425160d4
  Todor Kondic authored 5 years ago
  
  Devel See merge request !6
  425160d4
- Depict with colour · 4a3d397a
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  4a3d397a
- Merge branch 'devel' into 'master' · 214083c7
  Todor Kondic authored 5 years ago
  
  Devel See merge request !5
  214083c7
- Depict with colour · fdda1dba
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  fdda1dba
Aug 01, 2019
- Merge branch 'devel' into 'master' · dc229aaf
  Todor Kondic authored 5 years ago
  
  Devel See merge request !4
  dc229aaf
- Depict with colour · a978228c
  Todor Kondic authored 5 years ago
  
  * R/mix.R(rendersmiles2): Fix colour.
  a978228c
Jul 31, 2019
- Merge branch 'devel' into 'master' · ccf614a9
  Todor Kondic authored 5 years ago
  
  Devel See merge request !3
  ccf614a9
- Fix stale rmbmix mentions · 0d1a3a68
  Todor Kondic authored 5 years ago
  
  * R/run.R (presc.do,sw.do,mb.do): Fix.
  0d1a3a68
- Presc.shiny prescreening part · ce4cb758
  Jessy Krier authored 5 years ago
  
  ce4cb758
- Merge branch 'devel' into 'master' · 2a6c6288
  Todor Kondic authored 5 years ago
  
  Devel See merge request !2
  2a6c6288