Cytochrome-P450-19A1-Inhibitors
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2021-03-17
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Cytochrome-P450-19A1-Inhibitors-master.zip （94个子文件） 
Cytochrome-P450-19A1-Inhibitors-master .ipynb_checkpoints 
app-checkpoint.py 4KB descriptor_list-checkpoint.csv 1.29MB bioactivity_prediction_app-checkpoint.ipynb 97KB README-checkpoint.md 60B Homo_Sapiens_Cytochrome_P450_19A1_3class_pIC50_pubchem_fp-checkpoint.csv 4.78MB app.py 4KB bioactivity_prediction_app.ipynb 97KB
requirements.txt 45B descriptor_list.csv 1.29MB Homo_Sapiens_Cytochrome_P450_19A1_3class_pIC50_pubchem_fp.csv 4.78MB Procfile 35B Homo_Sapiens_Cytochrome_P450_19A1_model.pkl 58.59MB README.md 60B PaDEL-Descriptor ExtendedFingerprinter.xml 5KB PubchemFingerprinter.xml 5KB
Descriptors.xls 936KB MACCSFingerprinter.xml 5KB GraphOnlyFingerprinter.xml 5KB SubstructureFingerprinter.xml 5KB lib 
libPaDEL-Jobs(8).jar 10KB ambit2-base-2.4.7-SNAPSHOT.jar 175KB libPaDEL.jar 37KB libPaDEL-Jobs(5).jar 10KB commons-cli-1.2(3).jar 43KB ambit2-core-2.4.7-SNAPSHOT.jar 304KB jgrapht-0.6.0(1).jar 99KB vecmath1.2-1.14.jar 112KB commons-cli-1.2(6).jar 43KB jama(1).jar 34KB guava-17.0.jar 2.24MB libPaDEL-Jobs(1).jar 10KB ambit2-core-2.4.7-SNAPSHOT(1).jar 304KB libPaDEL-Jobs.jar 10KB commons-cli-1.2(2).jar 43KB jama.jar 34KB commons-cli-1.2(5).jar 43KB swing-worker-1.1.jar 13KB commons-cli-1.2(1).jar 43KB commons-cli-1.2(4).jar 43KB commons-cli-1.2(8).jar 43KB ambit2-core-2.4.7-SNAPSHOT(2).jar 304KB libPaDEL-Descriptor(1).jar 298KB libPaDEL-Jobs(3).jar 10KB jgrapht-0.6.0(2).jar 99KB libPaDEL-Descriptor(3).jar 298KB ambit2-smarts-2.4.7-SNAPSHOT(6).jar 163KB jgrapht-0.6.0.jar 99KB jama(7).jar 34KB jama(6).jar 34KB ambit2-core-2.4.7-SNAPSHOT(3).jar 304KB jgrapht-0.6.0(4).jar 99KB ambit2-core-2.4.7-SNAPSHOT(4).jar 304KB ambit2-smarts-2.4.7-SNAPSHOT(5).jar 163KB libPaDEL-Jobs(6).jar 10KB xom-1.1.jar 444KB ambit2-smarts-2.4.7-SNAPSHOT(1).jar 163KB jgrapht-0.6.0(3).jar 99KB jama(3).jar 34KB commons-cli-1.2(7).jar 43KB jgrapht-0.6.0(6).jar 99KB commons-cli-1.2.jar 43KB ambit2-smarts-2.4.7-SNAPSHOT(3).jar 163KB ambit2-smarts-2.4.7-SNAPSHOT(2).jar 163KB libPaDEL-Jobs(4).jar 10KB libPaDEL-Descriptor.jar 298KB libPaDEL-Descriptor(2).jar 298KB jama(5).jar 34KB jama(2).jar 34KB appframework-1.0.3.jar 266KB ambit2-smarts-2.4.7-SNAPSHOT(4).jar 163KB l2fprod-common-all.jar 483KB jgrapht-0.6.0(5).jar 99KB libPaDEL-Jobs(2).jar 10KB cdk-1.4.15.jar 16.53MB xom-1.1(1).jar 444KB ambit2-smarts-2.4.7-SNAPSHOT.jar 163KB libPaDEL-Jobs(7).jar 10KB l2fprod-common-all(1).jar 483KB jama(4).jar 34KB EStateFingerprinter.xml 5KB KlekotaRothFingerprinter.xml 5KB PaDEL-Descriptor.jar 262KB KlekotaRothFingerprintCount.xml 5KB license LICENSE.txt 32KB lgpl-2.1.txt 26KB README - CDK 5KB lgpl.license 26KB Fingerprinter.xml 5KB config 461B AtomPairs2DFingerprintCount.xml 5KB SubstructureFingerprintCount.xml 5KB descriptors.xml 5KB AtomPairs2DFingerprinter.xml 5KB setup.sh 133B资源评论
