2ee408f0f30298d6eb3f70609c52bf6d *DESCRIPTION
a480da2f4ba62d84f1391ee3674010ad *LICENSE
aee066f5e13fe6b2fdf0e740be476629 *NAMESPACE
ab46f83df121d890c7e14562a74e444b *NEWS.md
ca7b75cb614cc8264c657f774dfe6543 *R/admet_master.R
4fd4bbe94084a8304e7fc65dd5927be1 *R/admetshiny-package.R
51e115bff18086b0b7d02c11d7a856e6 *R/app_server.R
76b73c287f5c87face318b790475189b *R/app_ui.R
b138d1e6ff88ed5a9e9fbb7b3e080f88 *R/boiled_egg_data.R
0658f98c549c04d67a95aff3a1633306 *R/cdk_webchem.R
82812d4a40e67f7d8eed6e559da9eb18 *R/dark_mode.R
9cd6845bb98e680810e1a44fa521975d *R/data_fixers.R
3e1d1614e566e7f6b03b52b8fbcdf432 *R/filters.R
5aa75ef18541aebc4530f5573acd234f *R/globals.R
19e322842da275cc28d50e53ae2f7a16 *R/pgp_model.R
882c86888a3d0eb47bf69d6e6a3becc3 *R/plot_customization.R
2d14671b9a1873a2bd7baca9052176ba *R/plots.R
d67c61bebfbf4cc2ea578e973d0dba7a *R/plots_cluster.R
1ca963a3104eee8760bc20fa015bd347 *R/report.R
91f22e8f277c61f7cc76c76e6ca510bd *R/run_app.R
d0952c767cb6c945421b69a8aecee6fe *R/ui_about.R
2993907d6025ab94d0633287a528391f *R/ui_cdk.R
5baea20cddbb35ae3b861595e9414c1e *R/ui_docs.R
458c2c55420201f7ecc56a1ebffd6939 *R/ui_helpers.R
a19bfbf8edb98297b5d65baa22f530b2 *R/ui_home.R
26cdd3d742a2db06f98ad7bb7504d8ae *R/ui_report.R
af3c5d0d853c2ddfb271e73b3016a982 *R/ui_tutorial.R
0a3d22f944e7fa6b0d9aed49fe64a7ef *R/utils-pipe.R
0b9511186d768d1e6db6ea53267d1292 *README.md
3640aae659ea6259864cd9a3ba3b03fd *build/vignette.rds
8f5da3d78f7f6168b632921e558be84f *inst/WORDLIST
30dbae558906d0a3f5e6621bfe64908a *inst/doc/admetshiny.R
e84643b509a257fccf66c947c90afce4 *inst/doc/admetshiny.Rmd
1e30d1813289f45388d96cbcc1461c71 *inst/doc/admetshiny.html
3b447958ccfaf74f65facf31d9ae453b *inst/extdata/boiled_egg_coords.R
35d0cd3366fab73154baa58ecddebde0 *inst/extdata/drugs.csv
78ab2a815fd45bcd42e0a1bb29392b4a *inst/www/hexicon.png
b13a06299ea651f961d5e1f0f4d82c9f *man/about_tab.Rd
93ca969b81f13fbb5b4b66ec62f48ae6 *man/admet_master_tab.Rd
56f53cc5038a20fe38b94a65298e656f *man/admetshiny-constants.Rd
2b5df389c6175ef81f04aa2a87cdb92e *man/admetshiny-package.Rd
b0e54c1250ff2f842fc277b8ef37994c *man/app_server.Rd
d5d95b06594a1c0d367e358f360ad19f *man/app_ui.Rd
885f6ba5268034e087e360c33fb8ea80 *man/applyFilters.Rd
b2f659568f3366dc22fbd92fd1a5a27c *man/apply_palette.Rd
8436c8a8eed797bff3f7b1c99bf978c4 *man/buildReportMarkdown.Rd
8acfe462d9838b06896e22a2104bdc5f *man/calcCDKDescriptors.Rd
0187f7c97d7973abc8cd901c35dcc87e *man/cdk_tab.Rd
6358a7918e035cc816f905810d8792bf *man/computeADMETProperties.Rd
a606185a03e8c125598b0bb4d157f863 *man/computeAdditionalMetrics.Rd
c9535942a6dd424c41a1f6e352370ab0 *man/computeDatasetStats.Rd
efb2f886d8787e8e4e384a4a4e7bb387 *man/computeDruglikenessScore.Rd
2418dfa2f5156ad29af7f4066b0b3681 *man/computeViolationColumns.Rd
df4de073509be2d7d28ddd8e74f49ace *man/dark_mode_ui.Rd
d4823786aff1280f6482ae386bafdc69 *man/detectColumnTypes.Rd
fe86035b83394de8c2bb687c139c5e2a *man/detectSMILESColumn.Rd
334c4bf09a45e0a70897c303348b9d84 *man/docs_tab.Rd
77b1a42fb862546059108601f868e618 *man/dot-checkColumns.Rd
c3ce90afb44e870c46850e5aa99f6545 *man/dot-get_col.Rd
8882dfa9ea8a0b4139cdbf97d823f180 *man/dot-get_heatmap_palette.Rd
e5f8c8077752a46700e03a1ddd37a6ce *man/dot-md_table.Rd
efa874b7596281c7d0ae6cce7464d4b6 *man/dot-numeric_summary.Rd
f8985f368366b908e06ddea15be68a2d *man/dot-safe_rbind.Rd
6010be4d8796f18d70b136fdfd0702af *man/eganFilter.Rd
e803f27819398676fc935738d7beec73 *man/generateReport.Rd
7f2d329da2cc4d121684bce93a5682fc *man/generateReportPlots.Rd
cfd2cc38247a483565d613268cd652d8 *man/getSmilesFromIdentifiers.Rd
5c479fc8c061bef042a22fb78d7018fc *man/ghoseFilter.Rd
608c620a3d55a4012ea5a713042a76e7 *man/home_tab.Rd
b1f6a1a4dacce5c477183bc17649a3fb *man/info_card_css.Rd
5d547df67224e1b6313b76a30f887683 *man/lipinskiFilter.Rd
602fb6097da3cc24c11f6f0a9cfbf272 *man/mapADMETColumns.Rd
67a879ef4edaa6093f36aa027179ccc0 *man/mapCDKDescriptors.Rd
4cd3021b61cc8e30071dcd7b12cd78a9 *man/mueggeFilter.Rd
21dcd2e581b101629e21dbc77e32d408 *man/palette_selector_ui.Rd
2f6c1f94f4b472b0ad5ddfc9ec792ce7 *man/pipe.Rd
fdc776d0023c264030b9d55c87b594e6 *man/plotBoiledEgg.Rd
24de40d9e9dfa57a65a4522d651df6bc *man/plotClusterHeatmap.Rd
6ed98b0b8c67127a622055aad2b6d6bf *man/plotCorrHeatmap.Rd
d589c57359a11701938d5544af817b80 *man/plotDruglikenessScore.Rd
69f1740aa36a1bbcbeb52ecfe43814c8 *man/plotHistogramCustom.Rd
d1c93f7a0d2f80946eaa2575e95e7d15 *man/plotLogP.Rd
82de95b8c51a8ab4a7dd1b6325716334 *man/plotMW.Rd
e331c22540be134617bacb256822ed49 *man/plotPCA.Rd
4d5f0285e212d955bcfb4fefa04b2007 *man/plotParallel.Rd
3b27505bc3b745449bf89fac70d4a878 *man/plotRadar.Rd
62376906942a5eeec1491c3f0988e6c1 *man/plotTPSA.Rd
244ffd54a7a7866d3cccceff63be25b4 *man/plotTSNE.Rd
a90c0869bd1b0e688a9d6a48a63df0e2 *man/plotTanimoto.Rd
1d09f99f1c6544869fa92d2a4d701b6f *man/plotUMAP.Rd
9cba93cd20d3734f0a7bdb054445a568 *man/plotViolationsSummary.Rd
1fa3720a8a349eee6d57ed99c2be5a14 *man/plotViolin.Rd
c6880b1d88a5787fd9abf41406ae83bc *man/renderReport.Rd
7c44c3d9e097b56d1335c0a0c170b860 *man/report_tab.Rd
a6cbd6113054d24a09d4e68cd222bf23 *man/run_app.Rd
e1d5b548fc122e3e9ac95129e953dc3f *man/tutorial_tab.Rd
675f5df1278bfd568ae6b0a07a1c7727 *man/veberFilter.Rd
332173f20d20942c02019350ea4dcadc *tests/spelling.R
d2bde7b643f5b5ea7abe158e42a1a64e *tests/testthat.R
be7f20171ad782574d71c50c2e01ddc0 *tests/testthat/test-data_fixers.R
2861ee4e120e91979d4a4066cbb6d668 *tests/testthat/test-filters.R
6c86a1aafc355d4cb0e8803dd85a7465 *tests/testthat/test-pgp-model.R
e84643b509a257fccf66c947c90afce4 *vignettes/admetshiny.Rmd
