4db9c746611d76c193e4f00aaead2ae8 *CITATION
02ccfe700ce52504add6534441749ac8 *DESCRIPTION
7066eec2ae3d46b116acf2b7064f31be *INDEX
f6ca07bb20e837b3d4f4f4d509549c1b *LICENSE
7a51b3a586aca5acab83d668a413f5cb *Meta/Rd.rds
d1312f0b0f430def0364dcb1e860803e *Meta/data.rds
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54be9f6a5c3c892ce4c8ce057701b22a *Meta/vignette.rds
7c78e6b4a8d2bb84764983d3287383f6 *NAMESPACE
7893326a2d51cedbf3a6c680c82eb546 *NEWS
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d2fee3f1b7d477e37885cbdd3e0e0596 *html/extractDrugCPSA.html
9577a995761146e544ee5034ced337b2 *html/extractDrugCarbonTypes.html
3c0e4badc984702ae4962c4a48ea0965 *html/extractDrugChiChain.html
561688c891d8f45df39df6d81fb539f6 *html/extractDrugChiCluster.html
ff1f670421cfc0100cd627d323aae96d *html/extractDrugChiPath.html
79e2abf263a6b0d79f2f0cb609e73bd2 *html/extractDrugChiPathCluster.html
e086de7d1aecd478fa55a052fae83bf8 *html/extractDrugDescOB.html
64f11a229da22255de695335aee27116 *html/extractDrugECI.html
65ee93a332775d5bfe4ac060f1e70409 *html/extractDrugEstate.html
633829516038dd98a9d76a304be17bff *html/extractDrugEstateComplete.html
b60b5a63d6678314de94fcb44ccbbae2 *html/extractDrugExtended.html
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73bc93ed107f500cef9d9128d118731a *html/extractDrugFMF.html
4b24ae4edc1c30371be51f22547d8735 *html/extractDrugFragmentComplexity.html
ff4912dc09b6854592bc025c9c453aaa *html/extractDrugGraph.html
df9a3ba70979c79646244111a7d10e4e *html/extractDrugGraphComplete.html
441a2c6836dbe683652cf2375d84c620 *html/extractDrugGravitationalIndex.html
c85994c24a6662afa4d880d46b5c1c8e *html/extractDrugHBondAcceptorCount.html
73cd07e8ed78a6408295f9a08e5f6227 *html/extractDrugHBondDonorCount.html
19a1a4090a280deea7fa9a4f9a8b5962 *html/extractDrugHybridization.html
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2dd95b3485b81e1a610a5897157e96cc *html/extractDrugHybridizationRatio.html
12f6222fae238bfe6d18ea9898ec7ace *html/extractDrugIPMolecularLearning.html
176e02ee5bd4a61c28c5377c6f6095eb *html/extractDrugKR.html
971d3571967b912c9e9bb330399abaa3 *html/extractDrugKRComplete.html
523660095c3c26a19a549d9093de3159 *html/extractDrugKappaShapeIndices.html
763754d6f64abbce6ccb6d6ae2d89701 *html/extractDrugKierHallSmarts.html
629516f8d8280f26cd1add3944a01c11 *html/extractDrugLargestChain.html
86feb506e5bcf719f010e7ae2b69a47f *html/extractDrugLargestPiSystem.html
d580a2dd8b0f2b9482d11fe1ac760681 *html/extractDrugLengthOverBreadth.html
d48476933c129b9d91e0a26e5cea82d7 *html/extractDrugLongestAliphaticChain.html
0afcea6803fb3faf54afd59cd16823b4 *html/extractDrugMACCS.html
c59bffbbf13b59b65e5b2c6a4c60ddc0 *html/extractDrugMACCSComplete.html
ee0f0e3e80269e34a853a9382bc87b20 *html/extractDrugMDE.html
3bb0b1c939855f9e373f007261e997c7 *html/extractDrugMannholdLogP.html
2b1f5454030ba094c4ed77b0b32297dd *html/extractDrugMomentOfInertia.html
019b8d194174dcd0ccc89fe445805803 *html/extractDrugOBFP2.html
e49ff2ac2990180efca03657df8d877b *html/extractDrugOBFP3.html
0ff95296f1f7ca2e33b28e3cd9262932 *html/extractDrugOBFP4.html
dcc87c1cfab7114e48a400ddf2244376 *html/extractDrugOBMACCS.html
759166dd832cbf3ceb13d285fb874109 *html/extractDrugPetitjeanNumber.html
2fc79828883964a907a9ceed428ca032 *html/extractDrugPetitjeanShapeIndex.html
c4a6c3b145b73d8ee14b87dfe899d0de *html/extractDrugPubChem.html
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9b6355ba11935c394c5e39f970251f79 *html/extractDrugRotatableBondsCount.html
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3e1aa8b05eab9bf3dc1dc5240b288eb5 *html/extractDrugShortestPath.html
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97cdb43cdfe33afa21fde820bebcfdf4 *html/extractDrugStandard.html
4fc69dc02d651c9ebc79569e58b00339 *html/extractDrugStandardComplete.html
6deb7667b3924790b4849a231a77acd8 *html/extractDrugTPSA.html
21d77873979423a7b4593e20e150fd24 *html/extractDrugVABC.html
14e04661e737381c3d701e581f5328d4 *html/extractDrugVAdjMa.html
41b663d6fdcf893249c6d0fcb1420a5e *html/extractDrugWHIM.html
f32aeab0fbfaf761a0a10901fbd6ff9b *html/extractDrugWeight.html
8bbf091f6814af7a4fdbd4d926cc99a4 *html/extractDrugWeightedPath.html
00c0b6a2e5135248ba0c4d13c7edfa05 *html/extractDrugWienerNumbers.html
f7653e1fadcafbff9ba2cc3fe9c5d6b8 *html/extractDrugXLogP.html
1e56491c3d119dce5a77fb66115d1aa9 *html/extractDrugZagrebIndex.html
71e068b27f39a9c80433cf13f7d30357 *html/extractPCMBLOSUM.html
80b42a1eb398548e278d407122071d87 *html/extractPCMDescScales.html
89661a0c7ab6fb838ee683ad50fd242c *html/extractPCMFAScales.html
4192b2ae794b0fe47ab32df7d693314c *html/extractPCMMDSScales.html
640743b9a3051900c59ed36b5a777c70 *html/extractPCMPropScales.html
7e1c9eaffc01c06477d6bc5038b26aec *html/extractPCMScales.html
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af2b7e9554d9e50e0c074f3764cf801a *html/extractProtAPAAC.html
041b1f802105bf0869843cfa15be9f49 *html/extractProtCTDC.html
602e73c571fff063b68fbb9a4670c930 *html/extractProtCTDD.html
cbfc7b3ae3b6d45d365b07fe369e969b *html/extractProtCTDT.html
f6878d8fc67b2e0c48f9d9a0b58ebba4 *html/extractProtCTriad.html
774563b6bd02b19e9ee9712a1e1d5345 *html/extractProtDC.html
43c67f33744e16c07c51ed63ddf5c36a *html/extractProtGeary.html
29df4a1a2e5bb5dc1daf2263e4428f06 *html/extractProtMoran.html
8e8d9fcebd670bad85896aec768d408a *html/extractProtMoreauBroto.html
5903d709d16798b1dadb478ab3263c92 *html/extractProtPAAC.html
e3eb48e01e7fbc6483179cead9b5d580 *html/extractProtPSSM.html
ca42cbcbefe6ad5a12f38dbc44682fd4 *html/extractProtPSSMAcc.html
c940cf14664a71e3860665ddbe5e2fe8 *html/extractProtPSSMFeature.html
115e47427886470795b51fce0c49f30b *html/extractProtQSO.html
c9aa804f86f41fbd7f2db8d7d711a0af *html/extractProtSOCN.html
2e05d568ca18b17d9981078e223493e6 *html/extractProtTC.html
7a9db887c34d14c6006eef268ad62521 *html/getCPI.html
e1464b183e7f2c3b79e0fd059f3ae8f9 *html/getDrug.html
c51ea96025662c6147ed1d568c459c99 *html/getFASTAFromKEGG.html
1fe0e96cd1dc6542303fd23f7ffac743 *html/getFASTAFromUniProt.html
677029c1ceaf263efb8be1b7b1670a97 *html/getMolFromCAS.html
5e228ba1177efd885bb1a2f5faf96762 *html/getMolFromChEMBL.html
80d7708113f068c55f311d51b417c8a9 *html/getMolFromDrugBank.html
84b809774411c3c78f918ca7f27f31c3 *html/getMolFromKEGG.html
f1f567db40036b332fd4f4c8b244db15 *html/getMolFromPubChem.html
10099cc51accafac065d7f5fec9844ea *html/getPDBFromRCSBPDB.html
813e0d2aefebdd603052f84ed72f8571 *html/getPPI.html
3fd7ade96238f2fd6425e50a3a9b341a *html/getProt.html
5c7af6267bc14baade9890e3b2bff579 *html/getSeqFromKEGG.html
54b2c9be97c96b94b3a3673703b7e415 *html/getSeqFromRCSBPDB.html
c885a5833c89532aba5b3d6313aa3cfe *html/getSeqFromUniProt.html
a3f5c3d14939be21af6a999f15096fd3 *html/getSmiFromChEMBL.html
e446134d5149982edfb7204949d06eae *html/getSmiFromDrugBank.html
2a7579c5d5114521183f1c43b707845f *html/getSmiFromKEGG.html
86f541c2033b1a359df32e82a779fd80 *html/getSmiFromPubChem.html
b06328234975ddd0a5593defd691a417 *html/readFASTA.html
3bfdf4a39fad04ab0972f9cfb0bb726a *html/readMolFromSDF.html
148a6aa8820e0f850367d4f53d7a5ec7 *html/readMolFromSmi.html
99fd3a232ed7e0b18375dd185c02681c *html/readPDB.html
81ad85b3045af7f386be687777ea62af *html/searchDrug.html
aed3669666c4146e29d30da1976176da *html/segProt.html
e9a8c531da4011cd6c79e837c7ca9775 *protseq/4HHB.pdb
4a16b7ca86e201cec2c42382c4445180 *protseq/P00750.fasta
dc85c304db0d96038b7cdab71913b2dc *protseq/P08218.fasta
3bacfe7684c62676c828bb7d22c25ef0 *protseq/P10323.fasta
4e16519c3091af55bba78c73ccb5ada4 *protseq/P20160.fasta
12d1df65f398dedba3390ad8c4d546f0 *protseq/Plasminogen.fasta
4fc1d897c523a5634e1b0a166d9b21ec *protseq/Q9NZP8.fasta
0c58ef02dc11e90eab4d304185ef7df3 *sysdata/AAidx.csv
857bd3d70c16685232c219e8cd4e9993 *sysdata/CTDict.rda
9e8752c7ab7ca7e43abb5358a1e72bdd *sysdata/CTIndex.rda
4b58694e15ff7e2952b9884c34fd4c57 *sysdata/Grantham.csv
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7957cc59a12a8726b53d21149df781f9 *sysdata/Schneider-Wrede.csv
7e236ea7dd880e47c29e5d66af53b4bd *sysdata/TCDict.rda
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9dda75fa604e110d55a54c22e82675e7 *unitTests/test_checkProt.R
d21e0d4a6b40998e3550f5b0a4b07fbd *unitTests/test_extractDrugALOGP.R
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51440b72c354596028e1d71409be41a4 *unitTests/test_getPPI.R
61b550dea7417a1b0cfc0ee0b9e3923f *vignettedata/FDAMDD.csv
b64370ec92ba1f43b9e105db54f6af2a *vignettedata/FDAMDD.smi
8150b50c5396b8915a0c81fc60fd2c8a *vignettedata/GPCR.csv
114ac1fabdf15b81a0d93f08a801de5f *vignettedata/RI.csv
a331220925244a9b9db10961a8436764 *vignettedata/RI.smi
f4cc22e4b007a23c12d0be0d77cc99dd *vignettedata/extracell.fasta
8ee3aee7929db8ea3941fc4e7dc54d06 *vignettedata/mitochondrion.fasta
