1c36bc99b6fa0000f11dabd07a1db1b4 *CITATION
135cb2fb23473f22b96d36af1bdadc93 *DESCRIPTION
49bddb56cdcff28161a4d6e06ba58673 *INDEX
6286fa530a6223b35932032b96d533fb *Meta/Rd.rds
a4516472731d84fe83d00341d8bdf8b5 *Meta/data.rds
25ec83abd15128a8ae9185d893802c45 *Meta/features.rds
38d2933677b83a1e8289788e924fe2a1 *Meta/hsearch.rds
2d2b14966c229f884dfc3d1eab598d54 *Meta/links.rds
3dc72a386901b8a7c72a4f6333d23dff *Meta/nsInfo.rds
3ebd13438d8176f01d0dc3694e60e761 *Meta/package.rds
43191de83315d82cdd03aa252f42b7bf *Meta/vignette.rds
6019638e974266690fc76dfe26352993 *NAMESPACE
196e831711a8cad469099d6209c13bfe *NEWS.Rd
ebf0fc819595d631b8bf280c4b049940 *R/ChemmineR
b27774e0cc61e51845192fad6806068c *R/ChemmineR.rdb
da50fd9deb494b2063dd8275210e65cf *R/ChemmineR.rdx
2c69419aa22afcce206384e0ae399834 *data/apfp.rda
a6c88c264281e868a4e7e417bcb986cb *data/apset.rda
9d31251d8e96731789c746a6787ef4bf *data/atomprop.rda
3bae217efd5ca40cd91bb05fe1cd9735 *data/atomprop.txt
d43e09649be811f12b89de5e11ed1a1c *data/pubchemFPencoding.rda
da4d64e353597083423bf252211c7557 *data/sdfsample.rda
e6312ab5ccda91695fc5518a59148ac6 *data/smisample.rda
f50e9493ac2dd02d4084317746bcd9a4 *doc/ChemmineR.R
5091ff7cdc551803fd33c9bf1e4f9f14 *doc/ChemmineR.Rmd
d60853ae346e95865bae03d5be0cb2bd *doc/ChemmineR.html
3f71d23e8667fafdc9f40b23afc653fe *doc/index.html
7aac106cb03ecb2e31d5a79095f50a5b *help/AnIndex
dd85539cc7267861e669c57bbeb1d3bb *help/ChemmineR.rdb
b2f62523bb606d342aafe114555fed90 *help/ChemmineR.rdx
af21790ea29e9a2b0175f23f10fcda37 *help/aliases.rds
dada61ff84de6c5b3743d8f4e8f1f834 *help/paths.rds
0d365c603241142fbc734321b3425c25 *html/00Index.html
5ff41035fde583b0a984ea7c23447ead *html/AP-class.html
ae899899edace0efa3f702d90f99a85d *html/APset-class.html
a78b289ecbdaef2d0f035712f743d461 *html/ExtSDF-class.html
096c9daf5564fcc5c35c4b80358b242e *html/FP-class.html
eefb34371f0a60d83a70a753135b290d *html/FPset-class.html
b6763e6916890c631fdc3f2643803b1a *html/R.css
e691fac97c78e18b5a38c6c44035044b *html/SDF-class.html
15cb7df3216b7f509008b76e4963865d *html/SDF2apcmp.html
f60681a3bc04311b815b335e8677b7be *html/SDFDataTable.html
9ff3c1f05a7b31e9009cb4e986b88895 *html/SDFset-class.html
1459d70745ec18bda1b8f19a6d653148 *html/SDFset2SDF.html
f99a86296b454f37fdce8e501886d657 *html/SDFset2list.html
1bf8f1283cfb990e023d4eb65b0d84db *html/SDFstr-class.html
7deb9181907a88a9b810c5eca18c18ec *html/SMI-class.html
1b9cbbac51b2d8e7048233d8966a7eff *html/SMIset-class.html
4003797f87e03910ae6c5db09cfe04f3 *html/addDescriptorType.html
a73ddd2fc76e14f83c2279119e5b330f *html/addNewFeatures.html
e4d165f79a8a50214086115baac3a892 *html/ap.html
067f2b68f75d305b9765896d1c303cf8 *html/apfp.html
80406d728120e8a74f0f1eac55077ad1 *html/apset.html
42a96b01b274a3fe50cda7fe23c286a4 *html/apset2descdb.html
972e9f5de4e11eebb15ba6dd84de2a98 *html/atomblock.html
b9bbbfb10a8b29b163d16c5477dd0358 *html/atomcount.html
78cf22016101039a589a069ffc4ee4ae *html/atomprop.html
2cadf2228b2a80b66c5488a0359d85fb *html/atomsubset.html
94f0d909a78ecfd4292b78619e7758be *html/batchByIndex.html
6261af33f9cf26310c5483ec45461bdc *html/bondblock.html
8b07a38bf8ebcf7c7294e134b93074c2 *html/bonds.html
cc5a70fe29356e79645f2675bd7512fe *html/browseJob.html
e76a76d99a0317ebf00d6b3eea7d313c *html/bufferLines.html
9b3c3512a1244d503722ea7e237a8efe *html/bufferResultSet.html
c22ac81a403c218389ea9b701c138b4b *html/byCluster.html
c801c03ab7c4e7eca39faf312cb67d9a *html/canonicalNumbering.html
4ec07ada42339a7c7f4a90c67f87111a *html/canonicalize.html
5c07535840816d2adacba317893b56bc *html/cid.html
04e590faae0a21eca3a034aa5722368f *html/cluster.sizestat.html
25e9edea772b093f7002478a2bda4aa9 *html/cluster.visualize.html
1e2c022f1caa3fe0095706a23c78e0d6 *html/cmp.cluster.html
bc920e7758b41122ff9a1c48fe1f3a0f *html/cmp.duplicated.html
a48dbc8f1a29135fe789dbe5e52903e0 *html/cmp.parse.html
debd7285feb5bac0f57417f1fb4a4252 *html/cmp.parse1.html
6240d5ea2589b22676b84654fea739a5 *html/cmp.search.html
c409b93732c20a016da648bb27db6169 *html/cmp.similarity.html
bf87b5c63b6a47313a20bcec18de3b4b *html/conMA.html
f70abd2ca4909e9478b29848457d8d4f *html/connections.html
d0c030597f215813abe915f78e499457 *html/datablock.html
1e224730e5707a36740502b995a48e84 *html/datablock2ma.html
6cbbcf78c3477916c679ef9427ad1332 *html/db.explain.html
9294b60919b1be5a7f00341cd73c2d81 *html/db.subset.html
2e6291e1945498a3dfc7d177084c742d *html/dbTransaction.html
a79a5b4489d9461e77800db9104cb426 *html/desc2fp.html
0d62f998b0e7d78d7f521aede78de5d1 *html/draw_sdf.html
1e7fc55aa972a9e09051cd68cde8e334 *html/exactMassOB.html
f9f562f10734c9dccee887351455cac8 *html/findCompounds.html
3c7196b314c67981e849e5cf9f499c5f *html/findCompoundsByName.html
54fb48e26dd7c494d5b6822c42b5a77b *html/fingerprintOB.html
30f2aba497f24f851ab5271862bb2c90 *html/fold.html
ef9e0a06577aec3d3673cf8b8982d928 *html/foldCount.html
1406ad5589c53abb7847d3fc5a9c0891 *html/fp2bit.html
8ff9e4b236ac992d4b73d0df98ef856e *html/fpSim.html
8321845ad33c0875a18ee6f6e42e9725 *html/fptype.html
3b867c2299d3f74e715a07a02452c642 *html/fromNNMatrix.html
8edfb554e4913dcfdaa8a44e96de4b26 *html/genAPDescriptors.html
fa31f919567420f035d40b4a1590d81b *html/genParameters.html
e20ab8dff75851c79a49bcb9b6bc9966 *html/generate3DCoords.html
9e21e1a38f038d73191fbd9f19d61be3 *html/getAllCompoundIds.html
4005e79c43f4b90451beeac5251d6924 *html/getCompoundFeatures.html
d51705d98fad2ae8b0800311d77d423f *html/getCompoundNames.html
f0b1837c0d3596d051daed003f1b9bed *html/getCompounds.html
f98511767f59a770828bcfb5df6295e6 *html/getIds.html
bc71d523073223a6b6fe3c393c54f286 *html/grepSDFset.html
8561fe2e2521ce9057a45e30538ebd39 *html/groups.html
2f3e633ae56982a26f16c0c98a93eca2 *html/header.html
c92d329fb0676c09538c220a08bc404d *html/initDb.html
d668c1d58246e49ac903f66f91246904 *html/jarvisPatrick.html
940e1a5a12f056f6aa9a4989df4973c6 *html/jarvisPatrick_c.html
3864c610cbd9156360542ff923a3181a *html/jobToken-class.html
d1169225da873504eba21a1457027ad2 *html/largestComponent.html
289456ff8a8723a0fdbfeaec312ace1f *html/launchCMTool.html
20a62abd4340f467e676d542f1a915b0 *html/listCMTools.html
272f27dc9f676ef15ea60d7f4f9e31cf *html/listFeatures.html
dcc495ea9e80ae8d7110da6c1dba224b *html/loadSdf.html
e81ac6d25558ef5ceb24d06a9b87bba4 *html/makeUnique.html
8145f8d50932d6e33aae6584f43ad0e3 *html/maximallyDissimilar.html
3928d2dbba40ae9253c2269f0a8bd025 *html/nearestNeighbors.html
1031bdf17c5e5ff54f9741fd1799fd2f *html/numBits.html
6c5dedce9454a8a5451d2b317a25522f *html/obmol.html
0aaa49030a405132d8a01d6f456e45ca *html/openBabelPlot.html
51c53ccefe64e29556e7db56f83d6dd9 *html/parBatchByIndex.html
0a6b5314adbd3691424647bfaf2177bc *html/plotStruc.html
fcab7fc3f8ff34a290f87784f2f9d5ab *html/propOB.html
4cc8917c3237e6b8592bed2c429e2748 *html/pubchemCidToSDF.html
8fa6e74f4c6f4e69e1f175ac3c87abf4 *html/pubchemFPencoding.html
6e13dcbd2b4a8e555adf6c31d0b71304 *html/pubchemName2CID.html
e9706cd912f2d868311b681173ce05cf *html/pubchemSDFSearch.html
bc1a93619695ce6ae2f381d76eb63548 *html/pubchemSmilesSearch.html
6053300bffe706eac25954eede38ca9f *html/read.AP.html
078f0894bef9149a4d313bf22643b7f1 *html/read.SDFindex.html
fc98dadd308df2db6099604f93d3970d *html/read.SDFset.html
f06673ac8b76c7d1c64e28a2d0d55d77 *html/read.SDFstr.html
b66c24869353815e847362f299cb903d *html/read.SMIset.html
929c2e49fd1e544ab21a08691a9b67e1 *html/regenerateCoords.html
cb2e7c1b8a6fa760f1354cb1ae205bc0 *html/result.html
fb8ea36bed05194bdcd5f019ce738895 *html/rings.html
5412a47634d24c388f75609a359ecaaa *html/sdf.subset.html
756a01a5c803d01b9615ac1570cdd71e *html/sdf.visualize.html
b86e42e4925c24c571ca02bfcdecbb24 *html/sdf2ap.html
527eeea85eb01ae537e48e3395a59ac4 *html/sdf2list.html
ba98017c704eab0a0b00b6bd32f3ed01 *html/sdf2smiles.html
760d0609cea84c8a562ce05fdc9a195a *html/sdf2str.html
acfb93ddc54c95b593ccb8959b437b7b *html/sdfStream.html
1efa48078f0a9a1f3355c8869a66e616 *html/sdfid.html
c841bc4283b5bdfe79c3d457bf9aa393 *html/sdfsample.html
302697db5294fb67a451155ba1ca667a *html/sdfstr2list.html
52ccfc2b08294477a6e1c36f9df269b3 *html/searchSim.html
826cbfed0631d7d9b8d7c8d8092f5f1d *html/searchString.html
4d043498fd70377aba94523c6d32a240 *html/selectInBatches.html
1b2fa894c8fbcdd460f70876e242ba23 *html/setPriorities.html
a440084ba145dac9a4e7a15ec8bab996 *html/smartsSearchOB.html
46d0f0bea9ffb55eff18981e63355e22 *html/smiles2sdf.html
8dcded4468834d680b11c2fae1f57bd9 *html/smisample.html
d527affe2a91323126eddfbaf14ed8af *html/status.html
00683279843ee71ccdbfe3e4c3f4ebf8 *html/toolDetails.html
7df3b06dc344e7b104950c3b79cbfc3f *html/trimNeighbors.html
0542c81d56686d4f07941737dc2a2a74 *html/validSDF.html
315b9c2cde3c4a40e2e8df4fce814acb *html/view.html
d803e52d32e2eaa834ecd0eba1e9f384 *html/write.SDF.html
7057d2206200ce4f1bf427156a148c69 *html/write.SDFsplit.html
0b3788f122d839715dd75dd94a42ccdd *html/write.SMI.html
5038ed36016993b3e365b64198e1a676 *libs/i386/ChemmineR.dll
a084865ca63c87f747350e8f91af3515 *libs/x64/ChemmineR.dll
27509a6a1c9c5c980f15119b89b0427b *schema/compounds.RPostgreSQL
292e19cbcb87745c903ae4f286b9b6be *schema/compounds.SQLite
a74cd516ab1bd56fb6fe01377dc5d909 *unitTests/sample.mol
829cbd2333762a59177dc9554ae26262 *unitTests/sample.sdf
00eb409f767fb1f97e92bb91a779032f *unitTests/singleMolecule.sdf
17bcbadb8b62729cd80ee0bca517e217 *unitTests/test_classes.R
090a20bba90d53303cd86048f581699b *unitTests/test_clustering.R
681d438fc813477bdd31b9497c3c0a24 *unitTests/test_db.R
ab1e96652817cc19864b118d509d9de0 *unitTests/test_general.R
ec8a4189d400c459783ce014e2ad2516 *unitTests/test_ploting.R
