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Merge pull request #321 from Global-Chem/insects
Add insect sex pheromones to GlobalChem
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‎README.md

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'mango_phenolic_acids': MangoPhenolicAcids, # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
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'mango_fatty_acids': MangoFattyAcids, # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
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'mango_vitamins': MangoVitamins, # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
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'mango_flavonoids': MangoFlavonoids # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
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'mango_flavonoids': MangoFlavonoids, # Damilola Bodun & Sevien Schulhoff & Suliman Sharif
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'insect_sex_pheromones': InsectSexPheromones # Yuqing Liu & Suliman Sharif
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```
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| Chemical List | # of Entries | References |
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| Mango Fatty Acids | 24 | Maldonado-Celis, Maria Elena, et al. “Chemical Composition of Mango (Mangifera Indica L.) Fruit: Nutritional and Phytochemical Compounds.” Frontiers in Plant Science, vol. 10, Oct. 2019, p. 1073. |
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| Mango Vitamins | 10 | Maldonado-Celis, Maria Elena, et al. “Chemical Composition of Mango (Mangifera Indica L.) Fruit: Nutritional and Phytochemical Compounds.” Frontiers in Plant Science, vol. 10, Oct. 2019, p. 1073. |
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| Mango Flavonoids | 11 | Maldonado-Celis, Maria Elena, et al. “Chemical Composition of Mango (Mangifera Indica L.) Fruit: Nutritional and Phytochemical Compounds.” Frontiers in Plant Science, vol. 10, Oct. 2019, p. 1073. |
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| Insect Sex Pheromones | 37 | Jacobson, Martin. Insect Sex Pheromones. New York, Academic Press, 1992. |
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‌
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Contributions
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=============
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‎global_chem/global_chem/__init__.py

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# Animals
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from global_chem.animals.snakes.drugs_from_snake_venom import DrugsFromSnakeVenom
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from global_chem.animals.insects.insect_sex_pheromones import InsectSexPheromones
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# Environment
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‎global_chem/global_chem/animals/insects/__init__.py

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‎global_chem/global_chem/animals/insects/insect_sex_pheromones.py

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#!/usr/bin/env python3
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#
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# GlobalChem - Insect Sex Pheromones
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#
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# ------------------------------------
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class InsectSexPheromones(object):
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def __init__(self):
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self.name = 'insect_sex_pheromones'
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@staticmethod
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def get_smiles():
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smiles = {
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'2,2-dimethyl-3-isopropylidene cyclopropyl': 'C(C)(C)=C1CC1(C)(C)',
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'cis-7-dodecen-1-ol acetate': r'CCCC/C=C\CCCCCCOC(=O)C',
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'cis-9-tetradecen-1-ol acetate': r'CCCC/C=C\CCCCCCCCOC(=O)C',
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'trans-2-hexen-1-ol acetate': r'CCC/C=C/COC(=O)C',
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'trans-2-hexen-1-ol butyrate': r'CCC/C=C/COC(=O)CCC',
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'trans-2-octen-1-ol acetate': r'CCCCC/C=C/COC(=O)C',
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'trans-2-decen-1-ol acetate': r'CCCCCCC/C=C/COC(=O)C',
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'undecanal': 'CCCCCCCCCCC=O',
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'cis-11-octadecenal': r'CCCCCC\C=C/CCCCCCCCCC=O',
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'11-acetoxyundecanal': 'O=CCCCCCCCCCCOC(=O)C',
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'9-acetoxynonanal': 'O=CCCCCCCCCOC(=O)C',
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'cis-9,trans-12-tetradecadien-1-ol acetate': r'C/C=C/C/C=C\CCCCCCCCOC(=O)C',
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'cis-11-tetradecen-1-ol acetate': r'CC\C=C/CCCCCCCCCCOC(=O)C',
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'trans-10,cis-12-hexadecadien-1-ol': r'CCC\C=C/C=C/CCCCCCCCCO',
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'trans-11-tetradecenal': r'O=CCCCCCCCCC/C=C/CC',
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'cis-11-tetradecen-1-ol acetate': r'CC\C=C/CCCCCCCCCCOC(=O)C',
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'trans-7-dodecen-1-ol acetate': r'CCCC/C=C/CCCCCCOC(=O)C',
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'trans-2,trans-6-decadien-1,10-diol': r'OC/C=C/CC/C=C/CCCO',
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'10-hydroxy-3,7-dimethyl-trans-2,trans-6 decadienoic acid': r'OCCCC/C(C)=C/CC/C(C)=C/C(=O)O',
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'cis-8-dodecen-1-ol acetate': r'CCC/C=C\CCCCCCCOC(=O)C',
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'2-methylheptadecane': 'CC(C)CCCCCCCCCCCCCCC',
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'trans-8,trans-10-dodecadien-1-ol': r'OCCCCCCC/C=C/C=C/C',
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'2,3-dihydro-7-methyl-1H-pyrrolizin-1-one': 'O=C1CCN2C=CC(C)=C12',
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'n-hexadecyl acetate': 'CCCCCCCCCCCCCCCCOC(=O)C',
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'cis-11-octadecen-1-ol acetate': r'CCCCCC\C=C/CCCCCCCCCCOC(=O)C',
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'10-propyl-trans-5,9-tridecadien-1-ol acetate': r'CCC/C(CCC)=C/CC/C=C/CCCCOC(=O)C',
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'N,N-diethyl-m-toluamide': 'N(CC)(CC)C(=O)C1=CC(C)=CC=C1',
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'd-10-acetoxy-cis-7-hexadecen-1-ol': r'OCCCCCC\C=C/CC(OC(=O)C)CCCCCC',
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'cis-7,8-epoxy-2-methyloctadecone': 'CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C',
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'cis-7-dodecen-1-ol acetate': r'CCCC/C=C\CCCCCCOC(=O)C',
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'(-)-methyl trans-2,4,5-tetradecatrienoate': r'CCCCCCCCC=[C@]=C/C=C/C(=O)OC',
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'trans-3,cis-5-tetradecadienoic acid': 'CCCCCCCCC=CC=CCC(=O)O',
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'exo-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane': 'O1[C@H](CC)C(O2)CCCC12C',
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'1,5-dimethyl-6.8-dioxabicyclo[3.2.1]octane': 'O1CC(C)(O2)CCCC12C',
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'trans-verbenol': 'C1(C)(C)C2CC1C(O)C=C2C',
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'(-)-14-methyl-cis-8-hexadecen-1-ol': r'CC[C@@H](C)CCCC/C=C\CCCCCCCO',
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'(-)-methyl 14-methyl-cis-8-hexadecenoate': r'CC[C@@H](C)CCCC/C=C\CCCCCCC(=O)OC'
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}
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return smiles
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@staticmethod
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def get_smarts():
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smarts = {
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}
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return smarts

‎global_chem/global_chem/global_chem.py

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# Animals
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from global_chem.animals.snakes.drugs_from_snake_venom import DrugsFromSnakeVenom
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from global_chem.animals.insects.insect_sex_pheromones import InsectSexPheromones
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# Environment
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'mango_phenolic_acids': MangoPhenolicAcids, # Damilola Bodun & Sevien Schulhofff
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'mango_fatty_acids': MangoFattyAcids, # Damilola Bodun & Sevien Schulhofff
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'mango_vitamins': MangoVitamins, # Damilola Bodun & Sevien Schulhofff
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'mango_flavonoids': MangoFlavonoids # Damilola Bodun & Sevien Schulhofff
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'mango_flavonoids': MangoFlavonoids, # Damilola Bodun & Sevien Schulhofff
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'insect_sex_pheromones': InsectSexPheromones, # Yuqing Liu & Suliman Sharif
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}
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__INCOMPLETE_NODES = {

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