| A | B | D | E | F | |
|---|---|---|---|---|---|
1 | Time | Presenter | Title | Session | Location |
2 | 19/08/2018 08:30:00 | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront | ||
3 | 19/08/2018 08:45:00 | Edlyn Sue Simmons | CINF 15: Chemical structure searching for patents through the years | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
4 | 19/08/2018 09:15:00 | Stephen R Adams | CINF 16: Same structure, different answers: Examining the impact of chemical indexing policy on retrieval of patent references | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
5 | 19/08/2018 09:45:00 | Jessica Biagi | CINF 17: Beyond the search: Deep analysis of chemical patents and Markush claims | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
6 | 19/08/2018 10:15:00 | CINF: Intermission | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront | |
7 | 19/08/2018 10:30:00 | Elaine Nicholas Cheeseman | CINF 18: State of chemical structure searching 30 years on OR The human element – the power behind structure searching in the CAS content collection | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
8 | 19/08/2018 11:00:00 | Amandine Kandi-Masakidi | CINF 19: Chemical indexing and searching with Orbit Chemistry modules | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
9 | 19/08/2018 11:30:00 | Steven Hajkowski | CINF 20: Chemistry in patents: Unique perspectives within Derwent World Patents Index | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
10 | 19/08/2018 08:30:00 | CINF: Introductory Remarks | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront | |
11 | 19/08/2018 08:35:00 | Sunghwan Kim | CINF 1: Exploiting PubChem for drug discovery based on natural products | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
12 | 19/08/2018 09:00:00 | Timea Polgar | CINF 2: Connecting traditional with evidence-based medicine | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
13 | 19/08/2018 09:25:00 | Fidele Ntie-Kang | CINF 3: Development of a "drug-like" natural product library from the East African flora | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
14 | 19/08/2018 09:50:00 | CINF: Intermission | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront | |
15 | 19/08/2018 10:05:00 | Adriano D. Andricopulo | CINF 4: Development of an innovative database to uncover chemical and biological information from Brazilian biodiversity | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
16 | 19/08/2018 10:30:00 | Abraham Madariaga | CINF 5: Search of biased mu-opioid receptor ligands from nature | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
17 | 19/08/2018 10:55:00 | Fabien Plisson | CINF 6: Predicting blood-brain barrier permeability of marine-derived kinase inhibitors | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
18 | 19/08/2018 11:20:00 | Ajay N Jain | CINF 7: Template-free 3D structure generation and conformer search: Complex natural products and macrocycles | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
19 | 19/08/2018 08:30:00 | CINF: Introductory Remarks | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
20 | 19/08/2018 08:35:00 | Stephen Boyer | CINF 8: The internet of molecules | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
21 | 19/08/2018 09:00:00 | Alexei Lapkin | CINF 9: Reaction networks analysis for algorithmic process development | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
22 | 19/08/2018 09:25:00 | Jonathan Michael Goodman | CINF 10: International chemical identifier for reactions (RInChI): The key to managing reaction databases effectively | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
23 | 19/08/2018 09:50:00 | Noel O'Boyle | CINF 11: De facto standard or a free-for-all? A benchmark for reading SMILES | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
24 | 19/08/2018 10:15:00 | CINF: Intermission | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
25 | 19/08/2018 10:30:00 | Clare Tovee | CINF 12: Reporting crystal structure data: Recent insights | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
26 | 19/08/2018 10:55:00 | Peter Gedeck | CINF 13: Extending machine learning capabilities for semi-automated annotation of biological assays in BioAssay Express | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
27 | 19/08/2018 11:20:00 | Joris van Rossum | CINF 14: Blockchain for research | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
28 | 19/08/2018 11:45:00 | CINF: Discussion | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
29 | 19/08/2018 13:30:00 | CINF: Introductory Remarks | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront | |
30 | 19/08/2018 13:45:00 | John Mayfield | CINF 35: Structure searching for patent information: The need for speed | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
31 | 19/08/2018 14:15:00 | Christopher Southan | CINF 36: Pros and cons of 22 million patent-extracted structures in PubChem | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
32 | 19/08/2018 14:45:00 | Andrew Hinton | CINF 37: Automating chemical structure and inhibition data extraction from patents: A text mining approach | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
33 | 19/08/2018 15:15:00 | CINF: Intermission | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront | |
34 | 19/08/2018 15:30:00 | Sunghwan Kim | CINF 38: Searching for patent information in PubChem | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
35 | 19/08/2018 16:00:00 | Karol Molga | CINF 39: Navigating around patented routes with the help of computer-driven retrosynthetic analysis | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
36 | 19/08/2018 16:30:00 | John A Willmore | CINF 40: Software for presenting results of chemical structure searches | CINF: Chemical Structure Searching for Patent Information | Harbor Ballroom III, Westin Boston Waterfront |
37 | 19/08/2018 13:30:00 | Fernanda Saldivar | CINF 21: Natural product databases: Chemical space, diversity and suitability of virtual screening | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
38 | 19/08/2018 13:55:00 | Johannes Kirchmair | CINF 22: Characterization of the chemical space of purchasable natural products | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
39 | 19/08/2018 14:20:00 | Mahendra Awale | CINF 23: Exploring natural product analogs in chemical universe databases | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
40 | 19/08/2018 14:45:00 | CINF: Intermission | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront | |
41 | 19/08/2018 15:00:00 | Melina Mottin | CINF 24: OpenZika: Discovery of new antiviral candidates against Zika virus | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
42 | 19/08/2018 15:25:00 | Gisbert Schneider | CINF 25: Designing synthetically accessible natural-product mimetics by machine learning | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
43 | 19/08/2018 15:50:00 | CINF 26: Withdrawn | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront | |
44 | 19/08/2018 16:15:00 | Fidele Ntie-Kang | CINF 27: Identification of bichalcones as natural product sirtuin inhibitors by virtual screening and in vitro testing | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront |
45 | 19/08/2018 16:40:00 | CINF: Concluding Remarks | CINF: Chemoinformatic Approaches to Enhance Drug Discovery Based on Natural Products | Grand Ballroom E, Westin Boston Waterfront | |
46 | 19/08/2018 13:30:00 | CINF: Introductory Remarks | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
47 | 19/08/2018 13:35:00 | John Rumble | CINF 28: Assessing the quality of scientific data | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
48 | 19/08/2018 14:00:00 | Nicole Jung | CINF 29: Scope of ELNs and repositories to improve scientific documentation and reporting: Examples taken from the Chemotion-ELN and Chemotion-Repository | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
49 | 19/08/2018 14:25:00 | Amanda C Evans | CINF 30: Bottom-up training in reproducible research: Undergraduate level approaches | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
50 | 19/08/2018 14:50:00 | CINF: Intermission | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
51 | 19/08/2018 15:05:00 | Rick L Danheiser | CINF 31: Reproducibility in organic syntheses | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
52 | 19/08/2018 15:30:00 | Antony John Williams | CINF 32: Progress in delivering transparency in research data by the National Center for Computational Toxicology at the US EPA | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
53 | 19/08/2018 15:55:00 | Santiago Schnell | CINF 33: Better reporting for better measurements: Enzyme kinetics as a case study | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
54 | 19/08/2018 16:20:00 | L Cronin | CINF 34: Networking chemically capable robots using Twitter for RealTimeChem | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront |
55 | 19/08/2018 16:45:00 | CINF: Discussion | CINF: Reporting & Reproducibility of Chemistry Research Data | Lewis, Westin Boston Waterfront | |
56 | 20/08/2018 08:30:00 | CINF: Introductory Remarks | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront | |
57 | 20/08/2018 08:35:00 | James Kroll | CINF 55: Research integrity: Perspectives from the NSF Office of Inspector General | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
58 | 20/08/2018 09:00:00 | Scott Moore | CINF 56: Connecting the dots between data management and research integrity | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
59 | 20/08/2018 09:25:00 | Kenneth M. Merz | CINF 57: Long term viability of computational chemistry/biology research | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
60 | 20/08/2018 09:50:00 | Leah R McEwen,Ralph Stuart | CINF 58: Social aspects of chemical safety information | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
61 | 20/08/2018 10:15:00 | CINF: Intermission | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront | |
62 | 20/08/2018 10:25:00 | Olga Tarasova | CINF 59: Computational analysis of publications’ texts for bioassay protocol classification | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
63 | 20/08/2018 10:50:00 | Kelly M Elkins | CINF 60: Data sharing: Ethics in research | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
64 | 20/08/2018 11:15:00 | Amy Sarjeant | CINF 61: Crystallographic crime: Detection and prevention of fake data | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
65 | 20/08/2018 11:40:00 | Antony John Williams | CINF 62: Chemistry data: Distortion and dissemination in the internet era | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront |
66 | 20/08/2018 12:05:00 | CINF: Discussion | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront | |
67 | 20/08/2018 12:25:00 | CINF: Concluding Remarks | CINF: Ethics of Data Sharing | Grand Ballroom E, Westin Boston Waterfront | |
68 | 20/08/2018 08:30:00 | CINF: Introductory Remarks | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront | |
69 | 20/08/2018 08:35:00 | Christoph Steinbeck | CINF 63: Publication of raw and curated NMR spectroscopic data for organic molecules | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
70 | 20/08/2018 09:00:00 | Gregory M Banik | CINF 64: Publishing spectral data in the cloud | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
71 | 20/08/2018 09:25:00 | Demian Riccardi | CINF 65: Flow of experimental thermophysical and thermochemical data through the NIST Thermodynamics Research Center | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
72 | 20/08/2018 09:50:00 | Frederick R Phelan | CINF 66: Web Force-Field (WebFF) Project: Molecular dynamics force-field repository for soft materials at multiple levels of granularity | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
73 | 20/08/2018 10:15:00 | CINF: Intermission | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront | |
74 | 20/08/2018 10:30:00 | Christopher Southan | CINF 67: Reciprocal journal-to-chemistry connectivity in PubChem from the IUPHAR/BPS Guide to Pharmacology and other sources | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
75 | 20/08/2018 10:55:00 | Josef Eiblmaier | CINF 68: Open data in chemistry: The fast track to scientific content | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
76 | 20/08/2018 11:20:00 | Valery Tkachenko | CINF 69: Research data management using FAIR data repository with integrated machine learning | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
77 | 20/08/2018 11:45:00 | Fiona Shortt de Hernandez | CINF 70: SynOne - The use of an expert-defined chemical-compound class taxonomy to map organic synthesis articles from the chemistry literature | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
78 | 20/08/2018 13:30:00 | CINF: Introductory Remarks | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront | |
79 | 20/08/2018 13:35:00 | Jian Zhang | CINF 79: Publishing chemical data in public data repository | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
80 | 20/08/2018 14:00:00 | Anna Gaulton | CINF 80: ChEMBL – encouraging deposition of drug discovery data | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
81 | 20/08/2018 14:25:00 | Robert J. Hanisch | CINF 81: Data sharing and publication at NIST | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
82 | 20/08/2018 14:50:00 | Ian Bruno | CINF 82: Publishing chemical data sustainably: A crystallographic case study | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
83 | 20/08/2018 15:15:00 | Peter Linstrom | CINF 83: Documenting chemical data | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
84 | 20/08/2018 15:40:00 | CINF: Intermission | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront | |
85 | 20/08/2018 15:55:00 | Ye Li | CINF 84: Profiling common types of data in chemistry research articles: What has changed in five years? | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
86 | 20/08/2018 16:20:00 | Angela M Hunter | CINF 85: Publication data standards and Supporting Information review at Organic Letters | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
87 | 20/08/2018 16:45:00 | Guy Jones | CINF 86: Sustainable processes for chemical data publishing – our experiences as a society publisher | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
88 | 20/08/2018 17:10:00 | Shelley Stall | CINF 87: Enabling FAIR data in the Earth and space sciences | CINF: Publishing Chemical Data | Lewis, Westin Boston Waterfront |
89 | 20/08/2018 13:30:00 | CINF: Introductory Remarks | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront | |
90 | 20/08/2018 13:35:00 | Sergio Rotstein | CINF 71: HELM: Continuing to set the standard for biomolecular representation | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
91 | 20/08/2018 14:00:00 | David Deng | CINF 72: Current development and new challenges of HELM representation | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
92 | 20/08/2018 14:25:00 | Yohann Potier | CINF 73: Registering chemically modified oligonucleotides: Implementations and challenges | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
93 | 20/08/2018 14:50:00 | CINF: Intermission | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront | |
94 | 20/08/2018 15:00:00 | Markus Weisser | CINF 74: Similarity analysis of oligonucleotides based on HELM notation | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
95 | 20/08/2018 15:25:00 | Donald Jeff Milton | CINF 75: monomer.org: The global hub for (bio)polymer informatics | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
96 | 20/08/2018 15:50:00 | Christopher Southan | CINF 76: Trials and tribulations of curating peptide and antibody ligands for the IUPHAR/BPS Guide to Pharmacology | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
97 | 20/08/2018 16:15:00 | CINF: Intermission | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront | |
98 | 20/08/2018 16:25:00 | Noel O'Boyle | CINF 77: Building a bridge between human-readable and machine-readable representations of biopolymers | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
99 | 20/08/2018 16:50:00 | Aurora D Costache | CINF 78: Bridging the gap between small molecule and biologics editing: Drawing, viewing and sharing complex biomolecules with BioEddie and BiomoleculeToolkit | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |
100 | 20/08/2018 17:15:00 | CINF: Concluding Remarks | CINF: Where are the Standards: Biologics Registration & HELM | Grand Ballroom E, Westin Boston Waterfront |