ACS San Diego Fall 2019
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2019-08-2508:10:00CINF: Introductory Remarks
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2508:20:00Edlyn Sue SimmonsCINF 7: Patent novelty searching: Scope of prior art
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2508:50:00Stephen R AdamsCINF 8: Quality of indexing for non-patent literature and its implications for retrieval of relevant prior art
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2509:20:00John ZabilskiCINF 9: Finding what others miss: Comprehensive prior-art resources for chemical substance searching
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2509:50:00CINF: Intermission
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2510:00:00Xavier PillaiCINF 10: Practical pointers for conducting prior art searches for small molecules, a patent practitioner's point of view
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2510:30:00
Stephen Boyer,Ian Wetherbee
CINF 11: What’s new with scientific content in Google patents
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2511:00:00Stephen R AdamsCINF 12: Non-patent literature citations in EPO opposition and limitation proceedings
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2511:30:00Justin L KriegerCINF 13: Inventions for sale? Navigating the on-sale bar under the America Invents Act
CINF: Nothing New Under the Sun: The Practical Challenges of Patent Novelty Searching
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2508:30:00CINF: Introductory Remarks
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2508:35:00
Leah R McEwen,Ms. Samuella B Sigmann,Mr. Ralph Stuart
CINF 14: Science librarian, a chemical educator, and an EHS professional walk into a lab: Laboratory safety as a collaborative teaching tool
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2509:00:00
Hassan Ahamed,Tomás Aramburu,Tamsin E Mansley
CINF 15: Innovative teaching collaboration provides students with practical drug discovery experience
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2509:25:00Dr. Natalie HawrylukCINF 16: Driving student success through undergraduate internships in biopharma
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2509:50:00Shalini RamachandranCINF 17: Evolving data needs in chemistry and bio-sciences: What role can a librarian play in creating student success?
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2510:15:00Dr. Adriana BankstonCINF 18: Training the biomedical workforce for long-term career success
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2510:40:00Ms. Jennifer RosenbergCINF 19: Business of student success
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2511:05:00CINF: Panel Discussion
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2511:55:00CINF: Concluding Remarks
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2509:00:00CINF: Introductory Remarks
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2509:05:00Leonid ZaslavskyCINF 1: Enhancing data-driven summarization of relations between chemicals, genes, proteins, and diseases based on text mining of biomedical literature
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2509:25:00Chunlei DaiCINF 2: Introducing automated polymer data extractor tool
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2509:45:00Kristin SchmidtCINF 3: Extraction of polymer-related information in the cheminformatics tool CIRCA
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2510:05:00CINF: Intermission
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2510:20:00Artem MitrofanovCINF 4: Abstract recommendation system: beyond word-level representations
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2510:40:00Roger A SayleCINF 5: Current challenges in text-mining for chemical information
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2511:20:00Dac-Trung NguyenCINF 6: MOLVEC: Open source library for chemical structure recognition
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2511:40:00CINF: Concluding Remarks
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2513:15:00CINF: Introductory RemarksCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2513:20:00Richard HartshornCINF 26: IUPAC and its role in the development of chemical nomenclature and structure representationCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2513:45:00Dr. Michelle M RogersCINF 27: IUPAC brief guides on nomenclature: Summary of the key nomenclature principles addressed in IUPAC colored booksCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2514:10:00Molly A. StrausbaughCINF 28: Evolution of CAS nomenclature: Past, present, and futureCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2514:35:00Philip VerhalenCINF 29: Updating the Braille Code of Chemical Notation 1997CINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2515:00:00CINF: IntermissionCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2515:15:00Elisabeth MansfieldCINF 30: Carbon nanotube nomenclature: Challenges of naming emerging materialsCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2515:40:00Andrey YerinCINF 31: Chemical nomenclature from books to computers: ACD/Name and IUPAC Division VIIICINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2516:05:00Dr. Matthew P LightfootCINF 32: IUPAC, nomenclature, and chemical representation: From the perspective of a worldwide structural databaseCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2516:30:00Leah R McEwenCINF 33: Chemical representation: Toolbox for human and machine collaborationCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2513:30:00CINF: Introductory Remarks
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2513:35:00Robert Jerard GilliardCINF 34: Helping students stand out in the academic job market
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2514:00:00Dr. Matthew GrandboisCINF 35: Connecting the dots across academia and industry to ensure skill alignment
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2514:25:00Yulia SevryuginaCINF 36: Creating digital learning objects for chemistry
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2514:50:00Ralph YoungenCINF 37: RA21: Secure, seamless access for research
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2515:15:00Mrs. Jiuming JiCINF 38: Experiences in scientific information literacy education
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2515:40:00Ms. Mindy PozenelCINF 39: Identifying the different definitions of student success between young scientists, faculty and administration in academia and hiring managers in industry
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2516:05:00CINF: Concluding Remarks
CINF: Importance of Collaboration to Create Student Success in the Laboratory & Beyond
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2513:30:00CINF: Introductory Remarks
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2513:35:00Michael MaierCINF 20: Automatic identification of relevant chemical compounds from patents
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2513:55:00Andrew KleinCINF 21: Augmenting manual curation of chemical patent information in the Derwent World Patents Index
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2514:15:00
Josef Eiblmaier,Mrs. Dorothee Geppert,Mrs. Larisa Isenko,Mr. Christophe Mazenc,Mr. Heinz Saller
CINF 22: Journey continues: Addition of French, Russian, Chinese, Korean, and Japanese patents to PATENTSCOPE ChemSearch
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2514:35:00CINF: Intermission
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2514:50:00Dr. Jeffrey L NaussCINF 23: Automating chemical structure and inhibition data extraction from patents: Text-mining approach
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2515:10:00Philip CheungCINF 24: BioAssay express: Creating and exploiting assay metadata
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2515:30:00Lutz WeberCINF 25: Building fast, robust, and reliable prediction models using very large biological data sets
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2515:50:00CINF: Concluding Remarks
CINF: Text-Mining & Natural Language Processing for Chemical Information: From Documents to Knowledge
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2608:15:00CINF: Introductory RemarksCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2608:20:00Dr. Sunghwan KimCINF 53: Chemical structure standardization and synonym filtering in PubChemCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2608:45:00Dr. Gerd BlankeCINF 54: Challenges in chemical registration system migrations, and how to deal with themCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2609:10:00Noel O'BoyleCINF 55: Making a hash of it: Advantage of selectively leaving out structural informationCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2609:35:00Christopher GrulkeCINF 56: Crafting persistent identifiers and structure-based representations in DSSTox as surrogates for chemical names to better support interoperability in computational environmentsCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2610:00:00CINF: IntermissionCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2610:15:00Dr. Guenter GretheCINF 57: Classification of reactions by type or nameCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2610:40:00
Dr. Frederik van den Broek
CINF 58: UDM: Enabling exchange of comprehensive reaction informationCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2611:05:00Stuart James ChalkCINF 59: Reimagining IUPAC recommendations as a chemical ontology for semantic chemistryCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2611:30:00
Leah R McEwen,Vincent F Scalfani
CINF 60: Publishing FAIR spectral data and chemical structures: Report from the NSF workshop in OrlandoCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2608:30:00CINF: Introductory RemarksCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2608:35:00Daniel Fred OrtwineCINF 47: Coupling the 1D, 2D, and 3D data worlds to facilitate drug discoveryCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2609:05:00David J WildCINF 48: Using knowledge graphs for prediction and visual hypothesis generation in drug discoveryCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2609:35:00Dr. Barbara ZdrazilCINF 49: Visualizing relationships between protein targets, GO annotations and diseases via dynamic network representationsCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2610:05:00CINF: IntermissionCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2610:20:00Rajarshi GuhaCINF 50: How a visual vocabulary defines what you see in your dataCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2610:50:00Jonas BoströmCINF 51: Molecular viz: I feel the need…the need for speed...and usabilityCINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2611:20:00Thomas E. FerrinCINF 52: Is virtual reality useful for visualizing and analyzing molecular structures?CINF: Driving Drug Discovery via Innovative Data Visualization
Grand Ballroom A, Omni San Diego Hotel
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2019-08-2608:30:00CINF: Introductory RemarksCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2608:35:00Lutz WeberCINF 61: SciWalker: Comprehensive ontology-based chemical searchCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2609:00:00Dr. Gregory LandrumCINF 62: RDKit: Open-source cheminformatics from machine learning to chemical registration
https://www.slideshare.net/GregLandrum1/the-rdkit-opensource-cheminformatics
CINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2609:25:00Rajarshi GuhaCINF 63: How the RCDK enables open source cheminformatics in R: From fingerprints to mass spectraCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2609:50:00CINF: IntermissionCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2610:00:00Guilian LuchiniCINF 64: Applying commonly overlooked corrections to DFT frequency calculations with GoodVibesCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2610:25:00
Marisa G. Santibanez-Moran
CINF 65: Analysis of the acid/base profile of natural products as starting points of epigenetic drug discoveryCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2610:50:00Timothy SheilsCINF 66: Pharos: Open-source target illumination platformCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2611:15:00CINF: IntermissionCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2611:25:00Dr. Antony John WilliamsCINF 67: Using open data, services, and source software to deliver the EPA CompTox Chemicals Dashboard
https://www.slideshare.net/AntonyWilliams/using-open-data-services-and-source-software-to-deliver-the-epa-comptox-chemicals-dashboard
CINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2611:50:00Christopher GrulkeCINF 68: Facilitating community-based chemical curation by providing an open source version of the DSSTox chemical and list registration software that supports the EPA CompTox Chemicals DashboardCINF: Successful Projects Fueled by Open-Source Tools
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2613:00:00CINF: Introductory RemarksCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2613:05:00Tim MuellerCINF 82: Fast and accurate interatomic potential models by genetic programmingCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2613:30:00Prof. Olexandr IsayevCINF 83: Accelerating design of inorganic materials with machine learning and AICINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2613:55:00Dr. Phillip M MaffettoneCINF 84: Deep learning from crystallographic representations of periodic systemsCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2614:20:00Hanoch SenderowitzCINF 85: Application of machine learning tools for the analysis of combinatorial libraries of all metal-oxides photovoltaic cellsCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2614:45:00CINF: IntermissionCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2615:00:00Peter LileCINF 86: Database of low-energy cluster structures for atomically precise nanoclusters across the periodic table calculated using density functional theoryCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2615:25:00Yamil J. ColonCINF 87: Self-assembly of metal-organic frameworksCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2615:50:00Johannes HachmannCINF 88: Accelerated discovery of high-refractive-index polyimides via First-Principles materials modeling and informaticsCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2616:15:00Joshua SchrierCINF 89: Experiment specification, capture and laboratory automation technology (ESCALATE): Software pipeline for automated chemical experimentation and data management, with application to metal halide perovskite discoveryCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2616:40:00Yulia BorodinaCINF 90: Standardization of structural representation of polymers used in medicinal productsCINF: Materials Informatics
Grand Ballroom E, Omni San Diego Hotel
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2019-08-2613:15:00CINF: Introductory RemarksCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2613:20:00Dr. Gerd BlankeCINF 75: Reaction InChI (RInChI): Present and futureCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2613:45:00Alex ClarkCINF 76: Chemical mixtures: File format, open source tools, example data, and mixtures InChI derivativeCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2614:10:00Ian BrunoCINF 77: Organometallics: InChIng forwards to better representations and happier chemistsCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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2019-08-2614:35:00
Jonathan Michael Goodman
CINF 78: Names for structural variability: Alkanes from maximum efficiency to the limits of existenceCINF: Chemical Nomenclature & Representation: Past, Present & Future
Grand Ballroom D, Omni San Diego Hotel
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