Machine-OlF-Action: a unified framework for developing and interpreting machine-learning models for chemosensory research
暂无分享,去创建一个
Krishan Gupta | Gaurav Ahuja | Debarka Sengupta | Siddhant Kalra | Tripti Mishra | Aditya Arya | Anku Gupta | Mohit Choudhary | Sanjay Kumar Mohanty | Aayushi Mittal | Suvendu Kumar | Nikhil Katyayan | Nilesh Kumar Dixit | Manshi Goel | Megha Sahni | Vrinda Singhal | S. Mohanty | Debarka Sengupta | A. Arya | Krishan Gupta | T. Mishra | Gaurav Ahuja | A. Mittal | Siddhant Kalra | Vrinda Singhal | Anku Gupta | Suvendu Kumar | M. Choudhary | Nikhil Katyayan | Manshi Goel | Megha Sahni
[1] Tatsuya Takagi,et al. Mordred: a molecular descriptor calculator , 2018, Journal of Cheminformatics.
[2] Takamichi Nakamoto,et al. Predictive modeling for odor character of a chemical using machine learning combined with natural language processing , 2018, PloS one.
[3] Evan Bolton,et al. An overview of the PubChem BioAssay resource , 2009, Nucleic Acids Res..
[4] Machine learning decodes chemical features to identify novel agonists of a moth odorant receptor , 2020, Scientific Reports.
[5] H. Matsunami,et al. Agonists of G-Protein-Coupled Odorant Receptors Are Predicted from Chemical Features. , 2018, The journal of physical chemistry letters.
[6] Debarka Sengupta,et al. Analysis of single-cell transcriptomes links enrichment of olfactory receptors with cancer cell differentiation status and prognosis , 2020, Communications biology.
[7] Carlos Guestrin,et al. "Why Should I Trust You?": Explaining the Predictions of Any Classifier , 2016, ArXiv.
[8] Ayana Dagan-Wiener,et al. Bitter or not? BitterPredict, a tool for predicting taste from chemical structure , 2017, Scientific Reports.
[9] Johan Karlsson,et al. Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research , 2019, Front. Pharmacol..
[10] P. Scarborough,et al. Nutrient composition databases in the age of big data: foodDB, a comprehensive, real-time database infrastructure , 2019, BMJ Open.
[11] Shoba Ranganathan,et al. Applications of machine learning in GPCR bioactive ligand discovery. , 2019, Current opinion in structural biology.
[12] Areejit Samal,et al. IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics , 2017, Scientific Reports.
[13] Rok Blagus,et al. SMOTE for high-dimensional class-imbalanced data , 2013, BMC Bioinformatics.
[14] Christoph Steinbeck,et al. The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013 , 2012, Nucleic Acids Res..
[15] Ola Engkvist,et al. Cheminformatics in Drug Discovery, an Industrial Perspective , 2018, Molecular informatics.
[16] Shaoyong Lu,et al. BitterX: a tool for understanding bitter taste in humans , 2016, Scientific Reports.
[17] P. Kolb,et al. Interrogating dense ligand chemical space with a forward-synthetic library , 2019, Proceedings of the National Academy of Sciences.
[18] Witold R. Rudnicki,et al. Feature Selection with the Boruta Package , 2010 .
[19] Jörn Lötsch,et al. Machine Learning in Human Olfactory Research , 2018, Chemical senses.
[20] CHUN WEI YAP,et al. PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints , 2011, J. Comput. Chem..
[21] David S. Wishart,et al. HMDB 4.0: the human metabolome database for 2018 , 2017, Nucleic Acids Res..