4db9c746611d76c193e4f00aaead2ae8 *CITATION
f59b1805928bd3aa9791c7d011bfbb9d *DESCRIPTION
7066eec2ae3d46b116acf2b7064f31be *INDEX
f6ca07bb20e837b3d4f4f4d509549c1b *LICENSE
350410056644194b6e89856631cd150f *Meta/Rd.rds
a3205861c3874372c3d9c0a663b26a56 *Meta/data.rds
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7c78e6b4a8d2bb84764983d3287383f6 *NAMESPACE
7893326a2d51cedbf3a6c680c82eb546 *NEWS
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f9ad88ba05082139c1306efac4538273 *html/extractDrugBondCount.html
1383f5b5faf09609702b3b5f4f85bae6 *html/extractDrugCPSA.html
34d9faa00be5cb7bab45eabea3aa73cf *html/extractDrugCarbonTypes.html
12f77639114547b7f338e8d122e51b60 *html/extractDrugChiChain.html
fe36fcb64ad9a1ee13dbb05c37421b84 *html/extractDrugChiCluster.html
b80ebf8f13059cac6441feb3fee5a9e0 *html/extractDrugChiPath.html
1a8856b04793ab5326b752ef9860704f *html/extractDrugChiPathCluster.html
ddca29b413ef59c553028de1a355dcc8 *html/extractDrugDescOB.html
2c9511bd9009cc0cb630eed82b8029a6 *html/extractDrugECI.html
8a19c761141e75aeffc875c566f75013 *html/extractDrugEstate.html
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be4124a62f6294500505518898f98c21 *html/extractDrugExtended.html
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e7e115d3234d8add5f36e1129075ceda *html/extractDrugFMF.html
c6ab9b93326f135a79352f2e465996f0 *html/extractDrugFragmentComplexity.html
4e0ce512e68ed0cfa553f6252def36be *html/extractDrugGraph.html
2f2497e94ac3b5cb4716e40fcc6ccb64 *html/extractDrugGraphComplete.html
64ecd85088c3bcda513ec0a512672714 *html/extractDrugGravitationalIndex.html
8ec305dbf2568cb60ea4ac98d1d7d9a4 *html/extractDrugHBondAcceptorCount.html
08fb148bd58b3b3b2ac20445010890ee *html/extractDrugHBondDonorCount.html
c6dda706703e1d352d5c35687766fe1e *html/extractDrugHybridization.html
7dadfc6cad5ff89c5d5c7a9f21c67532 *html/extractDrugHybridizationComplete.html
af46556f597f10531f8f9bc3366ad2de *html/extractDrugHybridizationRatio.html
473384f83d77358127ca6138dceef179 *html/extractDrugIPMolecularLearning.html
58062bbde8e99a709d706235371382d8 *html/extractDrugKR.html
450e17689c399f6d41794f81c1b331a0 *html/extractDrugKRComplete.html
b380b8ed6d0758fe01a1d3d41dd8910d *html/extractDrugKappaShapeIndices.html
9f058cb9f609b91226d3c7e9cb72d02e *html/extractDrugKierHallSmarts.html
f89111c11a89f8c3cfe2b482b69c8a2d *html/extractDrugLargestChain.html
0cf4cb8fe60f5a9de7f1524cc6ce01ea *html/extractDrugLargestPiSystem.html
afce8de0886fe1832c34049fba2b6f99 *html/extractDrugLengthOverBreadth.html
c1bdf3171a208e8a83e81cc5499f5eb2 *html/extractDrugLongestAliphaticChain.html
e63dcb1f96dd9473c934b34fcb66f351 *html/extractDrugMACCS.html
d84dc8143f2cb93e7419de0a92cabc19 *html/extractDrugMACCSComplete.html
868dc7a1b69be859f1014a7712e598ba *html/extractDrugMDE.html
f247ffdfcc52be1310328252dce89185 *html/extractDrugMannholdLogP.html
369688b6b16b0ca34c6087603470d940 *html/extractDrugMomentOfInertia.html
08c8106abbae4279d22c5516ee195e8b *html/extractDrugOBFP2.html
62b9429aee5dfad9f5d2ab3c6d10159c *html/extractDrugOBFP3.html
8504957b15713d69d8bf1406c4d8c91e *html/extractDrugOBFP4.html
f91a664ec4a0dfad430ee56650d27b99 *html/extractDrugOBMACCS.html
15b4c51de82e0c4bd95953fd1c4df7c8 *html/extractDrugPetitjeanNumber.html
05dfd26d694e7816668f03bbbae16a1e *html/extractDrugPetitjeanShapeIndex.html
011df7abd334dc51066c8cb8940d9d24 *html/extractDrugPubChem.html
7d931efb1fe2b0816f2e888ea5acbb98 *html/extractDrugPubChemComplete.html
67c369d76d2a0769d54caa30cfd68180 *html/extractDrugRotatableBondsCount.html
c2320b9dcbe3337475e2a5976a531696 *html/extractDrugRuleOfFive.html
745f13d57969e5a1e362dc6d86f0a4e6 *html/extractDrugShortestPath.html
2f9a655ec118d04d93c8cbcc99c6b8c2 *html/extractDrugShortestPathComplete.html
a9983adc14475c2f66eff45214db9e23 *html/extractDrugStandard.html
deb76fd95b045c575c0a1ef76bd84224 *html/extractDrugStandardComplete.html
6e38feb38ea78e353d11850128f79536 *html/extractDrugTPSA.html
00e5f668df33e4369e5e8dd13692d694 *html/extractDrugVABC.html
0ff6c0b9752d8904f939c264e4447522 *html/extractDrugVAdjMa.html
2b0796658bc54eea0c89a7c8dd6945dc *html/extractDrugWHIM.html
86990b86c4f35c4ebc3dac0ce72230c9 *html/extractDrugWeight.html
5c4b28bb60a166055b9ae3674903b059 *html/extractDrugWeightedPath.html
3c67cdc75a576027d362bfe8fe63f48a *html/extractDrugWienerNumbers.html
5b017b406e359453777d8c9cd48d93f8 *html/extractDrugXLogP.html
900b486672a0c46ce841957065a5ebe0 *html/extractDrugZagrebIndex.html
9231beb8917d4d416cbc2ad2a017dc9e *html/extractPCMBLOSUM.html
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99f088ca8c071a1409e53a0a111a8251 *html/extractPCMFAScales.html
2ac1952d3611ed590fad86172b15fba7 *html/extractPCMMDSScales.html
9b2d601c7e97f480a48382bf2acab8ce *html/extractPCMPropScales.html
a04834328e9c83f0e8cdcd3602689927 *html/extractPCMScales.html
6878d2dd47af964d45cf4dc9b7d67b24 *html/extractProtAAC.html
c74b651c3745ef2e7304ed1b302a9c8f *html/extractProtAPAAC.html
0a6c762cd3f3ab946039bf281b5982d8 *html/extractProtCTDC.html
5e98bb546df2db9bba36632750486a61 *html/extractProtCTDD.html
8de7056074a6c4a9cc49979a143ad149 *html/extractProtCTDT.html
8909281db6b95564c63cf5ae23c16121 *html/extractProtCTriad.html
183e8c29fe3b53e79a3aa3e0647eb97e *html/extractProtDC.html
d49ae7a20bc4202de41c88ad882791b7 *html/extractProtGeary.html
806bb2a4b5d560f09744c9f1aef87183 *html/extractProtMoran.html
9334a3c7533035345f0368b1f78ee423 *html/extractProtMoreauBroto.html
cc55a2b31fbf1ccfaf5efc9639e602da *html/extractProtPAAC.html
cf06a879d32e80c1904b1a92b86c49fe *html/extractProtPSSM.html
a8ba1732630f5738144c8c5592d07783 *html/extractProtPSSMAcc.html
2c05f442ac03070cc9c427c491277041 *html/extractProtPSSMFeature.html
98c56067bbbe862065dd2296f04ee7af *html/extractProtQSO.html
e1a4d813c7d846803f016bba869d0a51 *html/extractProtSOCN.html
aab1b38f5a50a53eddc7f36929665bd1 *html/extractProtTC.html
5319109834f399b570347b60df0a84a8 *html/getCPI.html
af77e9d8ee47627da0d756c3ac0e43a5 *html/getDrug.html
696e3a04177b5788dfb6405db12532dd *html/getFASTAFromKEGG.html
b0a58034fbb6e1fce6c78ac18340220c *html/getFASTAFromUniProt.html
88c5385d0d66fb7aebf285fc4a433693 *html/getMolFromCAS.html
0ca560e879b22f586fff02365fa78ac2 *html/getMolFromChEMBL.html
aac0cafaafe4dc38667c669d363f4b0b *html/getMolFromDrugBank.html
cfd85679615c3293334d8cdbf2f75cc0 *html/getMolFromKEGG.html
2d81e95199c77df594051688ce4257b8 *html/getMolFromPubChem.html
2105b750e9c0d2632d1fb63ca5f50565 *html/getPDBFromRCSBPDB.html
6fb3fb257cd35e7938744b6aa0e122df *html/getPPI.html
c49327d2db028ca832f79340b8042632 *html/getProt.html
b762f3fcd2a184fa57ad25f78193a691 *html/getSeqFromKEGG.html
cf87498988dae1ab943db14b2942dc44 *html/getSeqFromRCSBPDB.html
cd81d9ceaf541526d6fbb2dbb0446718 *html/getSeqFromUniProt.html
a6a5b873c8238e8afa726c573a9e93d4 *html/getSmiFromChEMBL.html
8889b445ff97325a4fe01c415bc30569 *html/getSmiFromDrugBank.html
e8d63024f07049182396c2b01f1392d3 *html/getSmiFromKEGG.html
3de5c9cdd3ddd7b5fdb62177bc0eea73 *html/getSmiFromPubChem.html
eef246d23096fb2329ef29a0d69a63c1 *html/readFASTA.html
28e7d69e16b27594019cf9e7aec276ef *html/readMolFromSDF.html
423aa7efedce0b3aab7a0157702e8f51 *html/readMolFromSmi.html
4bccc25bd624ed9d38ff3aa75b842b49 *html/readPDB.html
4686016db7976d9a6f68e89dfe5ef2cf *html/searchDrug.html
bf703f08bca05e5d34a7222704218893 *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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7e236ea7dd880e47c29e5d66af53b4bd *sysdata/TCDict.rda
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d21e0d4a6b40998e3550f5b0a4b07fbd *unitTests/test_extractDrugALOGP.R
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8a64ee92d04912483c79de883de938ec *unitTests/test_extractDrugXLogP.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
