e9524abcec717d7ddd44b1960336ab48 *DESCRIPTION
f6ca07bb20e837b3d4f4f4d509549c1b *LICENSE
62938cda17a55e2e07558bcc90a8c300 *NAMESPACE
23bab33ea56d8a3a8181850bd1e13fbe *NEWS
d5d285cc08d3740d589d4497d8d68aac *R/101-getDrugPubChem.R
e67d2d5c51c3d7d216c1dcfee519d359 *R/102-getDrugChEMBL.R
5f9192eb2d579a0dd310312e76e4a078 *R/103-getDrugCAS.R
635a0d6043aab542eee226047841dfe0 *R/104-getDrugKEGG.R
d64cdaaf2c3544e3ae2ce5739cdf97c2 *R/105-getDrugDrugBank.R
a24f79943a7eb94dcd66639e5c99fa68 *R/106-getDrug.R
46a7876677f787a5da08b9e48f1acfe1 *R/201-getProtUniProt.R
ab54dc6d6be3d3bf08d5d4291f4b80df *R/202-getProtKEGG.R
4a5799c3ccb873c7f880fa2a09579fc1 *R/203-getProtRCSBPDB.R
58389fd2d370c4c2d741caa6dec62752 *R/204-getProt.R
50b31fc3986417966e5c9aa2290a752d *R/300-extractDrugAIO.R
ba19bd232b5151a0fe52c3a6cf8baba3 *R/301-extractDrugALOGP.R
b9daa865ae62477b14b3e26340197f5b *R/302-extractDrugApol.R
b3ace6b8eef21035919a303af6260a03 *R/304-extractDrugAminoAcidCount.R
ed41b215f61107406e32bb48e94fdde3 *R/305-extractDrugAromaticAtomsCount.R
50dfe56f021844c8d21df70e73ad6942 *R/306-extractDrugAromaticBondsCount.R
c827af54f199981280b0eeb2bcac2d51 *R/307-extractDrugAtomCount.R
8f282b1ec91b3d4f5a2a59549d33bd6f *R/308-extractDrugAutocorrelationCharge.R
c1143b59d0e8ae11cebc1a7fa30ba886 *R/309-extractDrugAutocorrelationMass.R
bed1c332a2927343a7948105d2107059 *R/310-extractDrugAutocorrelationPolarizability.R
eb37e9d7704facc312ac50ad0776e282 *R/311-extractDrugBCUT.R
4ab9376b35ca7741d27d4f898a7390aa *R/312-extractDrugBPol.R
9f258ae7328485286357dd2c85a89322 *R/314-extractDrugBondCount.R
bc346d0a3e45321ac2bfceee74096405 *R/315-extractDrugCPSA.R
85d7921dcef1fa460dcf6906731e7388 *R/316-extractDrugCarbonTypes.R
e6bb2c7a3fd6b2332b5864e946009ae2 *R/317-extractDrugChiChain.R
2860f566cad04ff2ecdbc38a7f54c658 *R/318-extractDrugChiCluster.R
6b91d5f948d1250c7e8732a54783e08f *R/319-extractDrugChiPathCluster.R
a37765e84dff86c4c6306535c01ff69f *R/320-extractDrugChiPath.R
c70ebcaaf1c3c07f358c324c32df5bb7 *R/321-extractDrugECI.R
03c95647eb741d5d1e275b86a9b273f7 *R/322-extractDrugFMF.R
c3c95a8a203d7a1d623c2a976ce3aedd *R/323-extractDrugFragmentComplexity.R
07b849b4a61377565fbb8c7e565b38ec *R/324-extractDrugGravitationalIndex.R
502d2f1801baa10ead42ba9d36559f68 *R/325-extractDrugHBondAcceptorCount.R
3708a782ac946a0329aae72a48ef2949 *R/326-extractDrugHBondDonorCount.R
7a538ed84e0180993ead108abd342c8a *R/327-extractDrugHybridizationRatio.R
b8ba073b36e61d578548672debb197e9 *R/328-extractDrugIPMolecularLearning.R
a7c28c9ea47ed105de5e2c10f4419c2b *R/329-extractDrugKappaShapeIndices.R
ac2f5def683eb42e19fc96ec2be6d556 *R/330-extractDrugKierHallSmarts.R
dd29a77fafcb3815100da0e2e189b2d8 *R/331-extractDrugLargestChain.R
bcd50554010d4e465df61c6a3dea20cb *R/332-extractDrugLargestPiSystem.R
f87f6b6d812421cacad96969799e6079 *R/333-extractDrugLengthOverBreadth.R
72378f141ec9c7a0fe0c3a422622f32f *R/334-extractDrugLongestAliphaticChain.R
6a26fad246c3ffa83aab108ae6640b06 *R/335-extractDrugMDE.R
5b8c744b2de490dc1e1e667991df2195 *R/336-extractDrugMannholdLogP.R
a22f9941018a79f56200760d17adb33c *R/337-extractDrugMomentOfInertia.R
7644e486ffeb4222277b3f0b88460705 *R/338-extractDrugPetitjeanNumber.R
e996bb6a572ece902099026bccc4fc6c *R/339-extractDrugPetitjeanShapeIndex.R
925de40b6996547008bb3bd008dccb8d *R/340-extractDrugRotatableBondsCount.R
88bbac83e74d944bda25477a288d7d51 *R/341-extractDrugRuleOfFive.R
0ac38c55aca84329675c5c47f0dae08d *R/342-extractDrugTPSA.R
65ac864e1dd9e430f08101a2e78c5ac8 *R/343-extractDrugVABC.R
c07e3c95ff7ffe26d33b54f9a60be8bc *R/344-extractDrugVAdjMa.R
82bcdfed77b4e1502720fc25530c03d1 *R/345-extractDrugWHIM.R
c8e0f008f3697f62296edf2732815938 *R/346-extractDrugWeight.R
c71a40dc5688051a133cb4265499362b *R/347-extractDrugWeightedPath.R
b7f2643afb3d01c9046c3a5f702effcf *R/348-extractDrugWienerNumbers.R
390088170ec63fb0835fc7705c8164f7 *R/349-extractDrugXLogP.R
fe873b79ec6d2e6dfdd747247fea5359 *R/350-extractDrugZagrebIndex.R
efa79029b7030f061c2d81c861e64c64 *R/371-extractDrugStandard.R
5420d56646534be562610a9117468b1a *R/372-extractDrugExtended.R
cc721c48ae70860d75e7ddc97b227e68 *R/373-extractDrugGraph.R
75960f45076d7921ab03ac3569717f6c *R/374-extractDrugHybridization.R
b9112f470e6c87f204e4954c1deb83f3 *R/375-extractDrugMACCS.R
3fa9b97aa9929cb2821fc57996284f49 *R/376-extractDrugEstate.R
78b8b40cef958e67ea3315cb800397d7 *R/377-extractDrugPubChem.R
a23f5e873375182e1745b8332920956b *R/378-extractDrugKR.R
27b364067c1f53801fe86747bb44e687 *R/379-extractDrugShortestPath.R
c260b194fc4a674cef163c7aadc1d7c5 *R/380-extractDrugOBFP2.R
6d00a0d36289d386463dd9fd53145642 *R/381-extractDrugOBFP3.R
74fcca4f6f3e608c7ca888bede7b9737 *R/382-extractDrugOBFP4.R
71d6340d42b0d8337a9033b5d2097ae6 *R/383-extractDrugOBMACCS.R
d7c8f418007b61e858cf8489565cbe60 *R/384-extractDrugDescOB.R
46646cd9a24b84888bf209c24cc61380 *R/401-extractProtAAC.R
df1c9ddf9850186448e360c9d7e31b78 *R/402-extractProtDC.R
40089c2524e36a142a8f97370e7ccee9 *R/403-extractProtTC.R
ea53a31d29d796bcbdf7af7ad5830343 *R/404-extractProtMoreauBroto.R
a612ee7027bcca1869e96c84409ff82a *R/405-extractProtMoran.R
b21eaeebfc8138a4349c316544e5acd8 *R/406-extractProtGeary.R
f48b44ae48e685c0bf0d2d000c7c60a8 *R/407-extractProtCTDC.R
1138f3b1079b504d929422f0b6b0d1e8 *R/408-extractProtCTDT.R
0e5aab99534bb8e6adb6ec7ab61751d6 *R/409-extractProtCTDD.R
c239e32d7f652b2fd3eb8ca4fc11ddb0 *R/410-extractProtCTriad.R
0596144e011574108a5fef1280332a2b *R/411-extractProtSOCN.R
45e0158a21146119fc5c92eb9a78cf46 *R/412-extractProtQSO.R
248275571402ed9727896a2ad6d3c53e *R/413-extractProtPAAC.R
5c1899ea5fadc167018c2dbf9486e388 *R/414-extractProtAPAAC.R
0d3d5c805262175819e848d2296b8aa6 *R/415-extractPCMScales.R
aa1b20872176ceae4f67c6f8384a2476 *R/416-extractPCMDescScales.R
ef3e4a77efbc31c671c8f34149b1dae0 *R/417-extractPCMPropScales.R
da3c2f5e26498c0edb470dd953c41b5b *R/418-extractPCMFAScales.R
6ce6fa7bc8f5ceb6fc6378dc485ddd58 *R/419-extractPCMMDSScales.R
82e08585cf5507cb4e0cb68e70b86cb2 *R/420-extractPCMBLOSUM.R
46c4cc012d470a7c2dd5fc99450d98df *R/421-extractProtPSSM.R
95bb7951736d4c3adc913d5483b4ec5c *R/422-extractProtPSSMFeature.R
ff10427dd6e2fd215871d44229e16f83 *R/423-extractProtPSSMAcc.R
996dab36abbfc4d739fd9f867e3729a2 *R/501-readFASTA.R
c7077b6201c199e112e0d6f0a8dc616e *R/502-readPDB.R
e02ce52174a8c122b4b060b195faf251 *R/503-readMolFromSDF.R
97e10e8827e23f564c1a8f6dc4acd906 *R/504-readMolFromSmi.R
37c6619a34151200fcf623e06cccd8c2 *R/505-convMolFormat.R
73ca4b5d9c89357f89bca2625914b5b7 *R/506-checkProt.R
e3349561f6a99a2301542520546a8483 *R/507-segProt.R
dcb47382d3898888e82afe12094bd1a7 *R/508-acc.R
df1889f432b8f57c65d1292f4923729d *R/601-getCPI.R
2f7f22e04c2ba1d19e1458fdc72cf093 *R/602-getPPI.R
a7ed42e27ae09aaca7628ad75d15de3e *R/701-calcDrugFPSim.R
693c471761add9ac4eb396868c56a226 *R/702-calcDrugMCSSim.R
58c5521a77c7f5c2eaf6be46d38d0801 *R/703-calcProtGOSim.R
2105e0871fed8212cce232ed3ca7bcc0 *R/704-calcProtSeqSim.R
6678c860d3044a8192476ca10ee9d33b *R/705-searchDrug.R
ce4d9875dc63a8cce8a30b94f5e8ff8b *R/Rcpi-datalist.R
e3b2a54e7ed5fbadbd0ee0cac6599ccb *R/Rcpi-package.R
ab9005244ef26488aef5b4b4467a73d8 *R/curl.R
0892593bc97686f66e850980afabbda8 *R/pwalign.R
f678765dfb4330146c3409c26441c8a0 *R/rcdk.R
0523fcc8ddd49e18a1ee2a858d59c358 *README.md
67bf7533bcef5d845b787dc35fd6695e *build/vignette.rds
74fd2419e84eb552d3d7bf73b5f12180 *data/AA2DACOR.rda
5b7c6f94b51a6cc85f679be46f8ca65a *data/AA3DMoRSE.rda
950a7207428adbf07025b3ea572ca17e *data/AAACF.rda
4203a744b06cc6d4d092fd44978fb1e2 *data/AABLOSUM100.rda
98ef4230c3ede64cc0f553b66b42c477 *data/AABLOSUM45.rda
d5c768c167c8576867c20de62030e3b8 *data/AABLOSUM50.rda
315986a4d4ec8307369d01e87c48a883 *data/AABLOSUM62.rda
e54c9332a0647029d24f60721345031c *data/AABLOSUM80.rda
94fc7c9344f718ce131af54429247390 *data/AABurden.rda
3c5a76840812febe22ec1201f8327fea *data/AACPSA.rda
fd12e4bda6ed3b63b9f7e8b48aeb45ab *data/AAConn.rda
f8a9e8d2156c0594a3627cb3e13687f1 *data/AAConst.rda
6271d5667f368f5e44df2c3dad6cdc61 *data/AADescAll.rda
d4abc40bb18cd6eefa4eea3278d67b72 *data/AAEdgeAdj.rda
81ef809ecf130e9ad4a781b4db1cd0ca *data/AAEigIdx.rda
78aaa7c32d779ae8629c68fb5e00250d *data/AAFGC.rda
b45121a25eb42ecb4f8e5815505dc057 *data/AAGETAWAY.rda
fe1d8b062c9f818b277fe1d42c97dbd5 *data/AAGeom.rda
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31c26f7333f4590a28cd1f2033f8f196 *data/AAMOE2D.rda
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18bc963fda844b819dd26df22154ef26 *data/AAPAM120.rda
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50221d8d338b3353dec10a6a4c6fd14b *data/AAPAM70.rda
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55a3b6a3bf6921d2aa04f449927e761e *data/AARandic.rda
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629742679f494f564d681b3bd25b4f7a *data/AATopoChg.rda
cd06e7f0cd64b800197fb41332eddc95 *data/AAWHIM.rda
e4dc18863083c330da419217c919c2e7 *data/AAWalk.rda
fe761e0c115a58ab00a61ad6c4f8801e *data/AAindex.rda
e04d8caa87e1974b4eb8c73dc1c88655 *inst/CITATION
cab7ccac04191bd0853d88aab80e61cf *inst/compseq/DB00530.sdf
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9cdd6755d2326e4dab02fdb8176f6e37 *inst/compseq/DB00860.sdf
ff0b174678a1e7eca48d489e14d809fc *inst/compseq/tyrphostin.sdf
ba69190a6595ab7f7088ddb80a5417cf *inst/doc/Rcpi-quickref.Rmd
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974631ab941008546fd19b4806e93732 *inst/doc/Rcpi.R
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e73d01f975ddd5fdc4ec5cb1a59e1de9 *inst/logo/logo.R
e9a8c531da4011cd6c79e837c7ca9775 *inst/protseq/4HHB.pdb
4a16b7ca86e201cec2c42382c4445180 *inst/protseq/P00750.fasta
dc85c304db0d96038b7cdab71913b2dc *inst/protseq/P08218.fasta
3bacfe7684c62676c828bb7d22c25ef0 *inst/protseq/P10323.fasta
4e16519c3091af55bba78c73ccb5ada4 *inst/protseq/P20160.fasta
12d1df65f398dedba3390ad8c4d546f0 *inst/protseq/Plasminogen.fasta
4fc1d897c523a5634e1b0a166d9b21ec *inst/protseq/Q9NZP8.fasta
0c58ef02dc11e90eab4d304185ef7df3 *inst/sysdata/AAidx.csv
857bd3d70c16685232c219e8cd4e9993 *inst/sysdata/CTDict.rda
9e8752c7ab7ca7e43abb5358a1e72bdd *inst/sysdata/CTIndex.rda
4b58694e15ff7e2952b9884c34fd4c57 *inst/sysdata/Grantham.csv
b69fe9c3517b1bb04d79fa1833c35363 *inst/sysdata/OptAA3d.sdf
7957cc59a12a8726b53d21149df781f9 *inst/sysdata/Schneider-Wrede.csv
7e236ea7dd880e47c29e5d66af53b4bd *inst/sysdata/TCDict.rda
61b550dea7417a1b0cfc0ee0b9e3923f *inst/vignettedata/FDAMDD.csv
b64370ec92ba1f43b9e105db54f6af2a *inst/vignettedata/FDAMDD.smi
8150b50c5396b8915a0c81fc60fd2c8a *inst/vignettedata/GPCR.csv
114ac1fabdf15b81a0d93f08a801de5f *inst/vignettedata/RI.csv
a331220925244a9b9db10961a8436764 *inst/vignettedata/RI.smi
f4cc22e4b007a23c12d0be0d77cc99dd *inst/vignettedata/extracell.fasta
8ee3aee7929db8ea3941fc4e7dc54d06 *inst/vignettedata/mitochondrion.fasta
f051c60b545598622fe6647b845c8fd9 *man/AA2DACOR.Rd
31d563f054d984324c9c0a14d58158d0 *man/AA3DMoRSE.Rd
1b670a1536e159d90707cdea8b228f53 *man/AAACF.Rd
1574292121e89e357b2bce5a6777d4f6 *man/AABLOSUM100.Rd
363cb64f4780066b20da28fbd69f815c *man/AABLOSUM45.Rd
a2f937dad5e57dc0bcbc60de8fb2564c *man/AABLOSUM50.Rd
c76068d8c2580cb4972c6ef95dcc4f0a *man/AABLOSUM62.Rd
7af6297b25afe16adba3b1b8073da4f6 *man/AABLOSUM80.Rd
393adc213b0fb13ed527e54ee7248bd9 *man/AABurden.Rd
5dfe8a5c7f5598a98306fc79a1f9ee82 *man/AACPSA.Rd
0176df8a6512969048c71106c73cb358 *man/AAConn.Rd
646302f64058e0c978d3e6abbeb0ff2d *man/AAConst.Rd
31f6897bed6981c0aabdd0eab2054424 *man/AADescAll.Rd
215280aa369c9ab8bb9947f4484090ed *man/AAEdgeAdj.Rd
2b84be7296cf6b480448e38107cf88b1 *man/AAEigIdx.Rd
3600fcd0f8df5ecc5f51922ea4e6558f *man/AAFGC.Rd
babe73f03025b0519304a27c79b503be *man/AAGETAWAY.Rd
f622bda54f7f9a4fcb74e0d01aeb2ebb *man/AAGeom.Rd
ecd5b60d7071665d2e03a9ac55fc5d60 *man/AAInfo.Rd
8af8fba842f974e7a60687c93312d2f2 *man/AAMOE2D.Rd
5f3cd01ad06d62cda926298326b7097f *man/AAMOE3D.Rd
2f97d2af0a005dffb999e9fe9006b66d *man/AAMetaInfo.Rd
504c878f61aa0ce04ddd275b4675066e *man/AAMolProp.Rd
db1966214f72c44ad5702026025dc331 *man/AAPAM120.Rd
140b8ff28f20d0e73dd23eb1d560eb8e *man/AAPAM250.Rd
11719741ca3f04cde9d49aaf50aed9bb *man/AAPAM30.Rd
3732dc276202462eaf462c069dedcc84 *man/AAPAM40.Rd
996c5ddde4f6f5e73eac6f7dd5280484 *man/AAPAM70.Rd
9a2bd54777394cc449881f6151c72ac8 *man/AARDF.Rd
9993cfa2db4b5bc62f581fb6988bb879 *man/AARandic.Rd
a513a54b7b755c2fecb0e1fc362b97e7 *man/AATopo.Rd
21c32f73b1f8f59baa2218d5190f400c *man/AATopoChg.Rd
429bd310641eb2e8b5cff838c279867a *man/AAWHIM.Rd
5d66e2e1632be9b8995e3944293a1b00 *man/AAWalk.Rd
4d69978a4bab07fca25324150214829f *man/AAindex.Rd
a2a5ca7c27cd78e0f542f9e7e0d5b31d *man/OptAA3d.Rd
f8f0ba5292e2e89a039466c4ae56b2d7 *man/Rcpi-package.Rd
46e468e38cfb4647fa7d9ea15bf744ce *man/acc.Rd
37f8edc67a90e2a4542bcaea90baf6fb *man/calcDrugFPSim.Rd
b84bbeebcebfc43302af880492f5a21b *man/calcDrugMCSSim.Rd
3a1e1879a5d130379ad72a5a6bda9110 *man/calcParProtGOSim.Rd
e4abeec4c63da39e7b0f220afe21399d *man/calcParProtSeqSim.Rd
9bd405ed17ecc2a062680844e4337e9c *man/calcTwoProtGOSim.Rd
b09a26f27dc9d9ce0e37ef20b651dba6 *man/calcTwoProtSeqSim.Rd
f13d7bde9cbddae3bdabbc5168516c98 *man/checkProt.Rd
0b3daaef77bf838dd5c5caaff5a4d836 *man/convMolFormat.Rd
fc319141c46984ba68b162de772066d6 *man/extractDrugAIO.Rd
616659466528f7637140f5c1eaaaf0fe *man/extractDrugALOGP.Rd
56732788a088165bc2d9817574357fe7 *man/extractDrugAminoAcidCount.Rd
4b048fcc909976bc6020077d600513a9 *man/extractDrugApol.Rd
44f7a96bca095d5fec47254ad660ab14 *man/extractDrugAromaticAtomsCount.Rd
8a20bca37085b2be4aff2619db5d30b3 *man/extractDrugAromaticBondsCount.Rd
052258616378a8a69663efbff1cc5d86 *man/extractDrugAtomCount.Rd
1f50d3c89c6dc7eebf6ca3a0e69ec42e *man/extractDrugAutocorrelationCharge.Rd
da23fc30110c02dbf0a16da63cdce981 *man/extractDrugAutocorrelationMass.Rd
a59aec1e8575b976c8a255d483940e40 *man/extractDrugAutocorrelationPolarizability.Rd
9a5e3a53e6b7c485fcc0ab4ada2e1f76 *man/extractDrugBCUT.Rd
1020474569a60852901ee1b1d797faa2 *man/extractDrugBPol.Rd
18d1f53e701d434cef727b46c3e98a8b *man/extractDrugBondCount.Rd
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