Alex M. Clark, Chemical Education, ACS 2012 Philadelphia

•

2 likes•1,692 views

Presentation at the American Chemical Society meeting (Philadelphia, 2012) by Alex M. Clark from Molecular Materials Informatics, Inc. Use of mobile chemistry apps in education.

Technology

Chemical structure
diagrams, reactions and
data: anytime, anywhere

Dr. Alex M. Clark
August 2012

© 2012 Molecular Materials Informatics, Inc.
http://molmatinf.com
1

Apps
• Already making an impact on education

• Plenty of content consumption - apps have
always been good for that

• But what about content creation?

• Much harder, especially for chemical
structures

Draw a molecule
• Being able to specify a molecule opens doors

Is it valid? Present it

Obtain Lookup in Share it
properties catalog

+
MolPrime

main menu pic

• Available for iOS, with Android coming soon

Sketching
• Sketcher is designed for
optimal use on small screens

• Gestures, tools, templates: for
drawing perfect structures, with
minimum interaction

• Basic primitives for molecular
diagram sketching, Journal of
Cheminformatics, 2:8 (2010)

Validity
• Property calculation includes
valence checking

• Identify basic problems with
structures

• Drawing errors or chemistry
misunderstandings lead to
invalid oxidation states

$Properties • Scalar properties can be derived from the structure... • Simple properties are calculated on the device: - molecular formula & weight - atom-type counts - rotatable bonds • Detailed calculations via webservice: - log P - molar refractivity - topological polar surface area$

Stereochemistry

• Webservice for calculating
stereochemistry:

- chirality (R/S)
- double bonds (E/Z)

• Use the app to draw the
molecule and obtain the correct
answer

Tautomers
• Webservice can calculate tautomers and provide an
interconversion graph

• App allows navigation through
tautomer space

Mass spectroscopy

• Can calculate the isotopic mass distribution,
and exact mass, based on the structure

• Helps with assigning mass spectra

Lookup online

• Many ways to lookup molecular structure in online:
e.g. Open with the ChemSpider Mobile app

• Can also search SPRESI, Mobile Reagents,
PubChem, ChEBI, eMolecules

Presentation
• Can copy bitmap to clipboard: paste into iWork

• Or create vector graphics (SVG, EPS, Word/Excel)

Vector Bitmap

Sharing: Email

• Initiate an
email, with an
image, source
data...

• Recipient can view the picture...

• ... and open the data: with an app, or any other
platform software.

Sharing: Web
• Upload to molsync.com

• View public link

• Can share the link with anyone,
e.g. via social networks

• Can download the structure in
many formats, including graphics

Twitter
• Can tweet from app using
iOS Twitter integration

• Uploads molecule to website

• Includes the link within the
tweet

• Link provides viewing and
access to the data

See Also http://molmatinf.com/products.html

1.5
Mobile Molecular Open Drug Discovery
DataSheet (MMDS) Teams (ODDT)
with Collaborations in Chemistry

MolSync ChemSpider Mobile
with Royal Society of Chemistry

SAR Table SPRESI mobile
with InfoChem

MolPrime Reaction101
with Eidogen-Sertanty

Green Solvents Yield101
with Eidogen-Sertanty

Conclusion
• Numerous ways to teach chemistry,
using molecular structures

• Useful pedagogical tools already
available, starting with structure drawing

• This is just the
http://molmatinf.com
beginning... so many http://molsync.com
more ideas to explore. http://cheminf20.org

@aclarkxyz
17

Similar to Alex M. Clark, Chemical Education, ACS 2012 Philadelphia

MolPrime+ Feature Overview

Alex Clark

In recent years smartphones and tablets have attained sufficient power and sophistication to replace conventional desktop and laptop computers for many tasks. Chemistry software is late to the party, but rapidly catching up. This webinar will explore some of the cheminformatics functionality that can currently be performed using mobile apps. A number of workflow scenarios will be discussed, such as: creating and maintaining chemical data (molecules, reactions, numbers & text); searching chemical databases and utilising the results; structure-aware lab notebooks; visualisation and structure-activity analysis; property calculation using remote webservices; and a multitude of ways to share data collaboratively, and integrate modular apps within distributed and heterogeneous workflows. With audio: http://www.youtube.com/watch?v=_XU0FTP-j34

Practical cheminformatics workflows with mobile apps

Alex Clark

Mobile Molecular DataSheet Product Overview

Alex Clark

Cheminformatics

Vin Anto

The ongoing drive towards mobile devices is now simply one of generic ubiquity. It is less an issue of whether a scientist has a mobile device but rather what brand, what generation and what apps do they have installed. Chemistry has fast been moving to mobile devices for a number of years now and today is it possible to draw chemical compounds, perform searches of databases both on device and in the cloud. Modeling of data using server based platforms is increasing in scope and capabilities. The Royal Society of Chemistry was early in recognizing the potential power of mobile platforms in terms to allowing scientists to access data and the benefits of such devices to allowing students access to data and content. This presentation will provide an overview of our efforts to date in supporting chemistry technologies on mobile devices and our recent developments in this domain.

Accessing royal society of chemistry resources and making chemistry mobile

US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

Cheminformatics workflows using the mobile + cloud platform. Presentation by Dr. Alex M. Clark of Molecular Materials Informatics at the NETTAB 2013 meeting in Venice, Italy. The presentation introduces the significance of mobile apps in science, and the scope of their capabilities in chemical structure informatics. The bulk of the talk describes an account of a preliminary workflow using open science data to search for viable leads for a cure for tuberculosis. The workflow described makes use of a combination of mobile, cloud and conventional desktop-based technology, all stitched together by facile communication, sharing and collaboration features.

Alex Clark : NETTAB 2013

Alex Clark

The Royal Society of Chemistry hosts one of the worlds’ richest collections of online chemistry data that is free-to-access for the community. ChemSpider presently hosts over 30 million unique chemical compounds together with associated data and accessible via a number of search techniques. With almost 50,000 unique users per day from around the world the site offers scientists the ability to investigate the world of small molecules via property searches, analytical data and predictive models. The challenges associated with providing a similar platform for “materials” are manifold but, if they could be addressed, would offer a valuable service to the materials community. This presentation will provide an overview of how ChemSpider was built, our efforts to expand the capabilities to a more encompassing data repository and some of the challenges faced to embrace the diverse world of materials informatics and online data access.

Hosting public domain chemicals data online for the community – the challenge...

US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

This video is from a a college level course taught at the Florida Polytechnic University located in Lakeland Florida. The purpose of this course is to introduce Freshmen students to what design patterns are and how to use them. in this class session, Dr. Anderson introduces object orientated programming, covers abstraction, encapsulation, polymorphism, and inheritance. He then wraps things up with a discussion of the differences between composition and inheritance.. The Instructor is Dr. Jim Anderson.

Introduction To Design Patterns Class 4 Composition vs Inheritance

Blue Elephant Consulting

ChemSpider is one of the chemistry community’s primary public compound databases. Containing tens of millions of chemical compounds and its associated data ChemSpider serves data to many tens of websites and software applications at this point. This presentation will provide an overview of the expanding reach of the ChemSpider platform and the nature of solutions that it helps to enable. We will also discuss some of the future directions for the project that are envisaged and how we intend to continue expanding the impact for the platform.

ChemSpider – disseminating data and enabling an abundance of chemistry platforms

Ken Karapetyan

Chemoinformatic File Format.pptx

wadhava gurumeet

What can you learn from molecular modeling?

digitalbio

Software Methods for Sustainable Solutions

George Fitzgerald

Software Methods for Sustainable Solutions

BIOVIA

Tragedy of the (Data) Commons

James Hendler

The increasing prevalence of mobile devices offers the opportunity to provide chemistry students with easy access to a multitude of resources. As a publisher the RSC provides a myriad of content to chemists including an online database of over 26 million chemical compounds, tools for learning spectroscopy and access to scientific literature and other educational materials. This presentation will provide an overview of our efforts to make RSC content more mobile, and therefore increasingly available to chemists. In particular it will discuss our efforts to provide access to chemistry related data of high value to students in the laboratory. It will include an overview of spectroscopy tools for the review and analysis of various forms of spectroscopy data

Putting chemistry into the hands of students – chemistry made mobile using re...

US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

Linking chemistry: wider lessons for how we publish research

Royal Society of Chemistry

Collaboraive sharing of molecules and data in the mobile age

Sean Ekins

Acs denver dirks potenzone 30 aug2011

Rudy Potenzone

ChemSpider – disseminating data and enabling an abundance of chemistry platforms

US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

Academic Course: 13 Applications of and Challenges in Self-Awareness

FET AWARE project - Self Awareness in Autonomic Systems

Similar to Alex M. Clark, Chemical Education, ACS 2012 Philadelphia (20)

MolPrime+ Feature Overview

Practical cheminformatics workflows with mobile apps

Mobile Molecular DataSheet Product Overview

Cheminformatics

Accessing royal society of chemistry resources and making chemistry mobile

Alex Clark : NETTAB 2013

Hosting public domain chemicals data online for the community – the challenge...

Introduction To Design Patterns Class 4 Composition vs Inheritance

ChemSpider – disseminating data and enabling an abundance of chemistry platforms

Chemoinformatic File Format.pptx

What can you learn from molecular modeling?

Software Methods for Sustainable Solutions

Tragedy of the (Data) Commons

Putting chemistry into the hands of students – chemistry made mobile using re...

Linking chemistry: wider lessons for how we publish research

Collaboraive sharing of molecules and data in the mobile age

Acs denver dirks potenzone 30 aug2011

ChemSpider – disseminating data and enabling an abundance of chemistry platforms

Academic Course: 13 Applications of and Challenges in Self-Awareness

More from Alex Clark

Mixtures QSAR: modelling collections of chemicals

Alex Clark

Mixtures InChI: a story of how standards drive upstream products

Alex Clark

Presented at Cambridge (UK) cheminformatics meeting, February 2021. Mixtures of chemicals are underutilised from an informatics point of view, and this presentation shows some of the work done by Collaborative Drug Discovery, IUPAC and InChI Trust to remedy this. See recording: https://www.youtube.com/watch?v=0ILc0owuEzQ&list=PLfj_gc4RCduuwv9p8lh2xS1EhQ3p_Nd9S&index=1 ... my part starts at 1:05:00

Mixtures as first class citizens in the realm of informatics

Alex Clark

Mixtures: informatics for formulations and consumer products

Alex Clark

Coordination InChI (2019)

Alex Clark

Chemical mixtures: File format, open source tools, example data, and mixtures...

Alex Clark

Bringing bioassay protocols to the world of informatics, using semantic annot...

Alex Clark

ACS CINF Luncheon talk (Boston 2018)

Alex Clark

Combining large amounts of publicly available structure-activity data with assays that have carefully curated annotations opens the door to a number of ways to analyze the data behind the scenes. Combining fully machine readable input for a diverse variety of projects with modelling techniques that can be used without fussy parametrization allows models to be created and updated whenever new data arrives. Predictions from these models can be integrated into normal searching and visualization workflows, without any need for the user to opt-in or make extra decisions. This approach is novel and different from the way structure-activity models are normally deployed: useful predictions can be presented ubiquitously with literally zero additional work on behalf of the user. We will present our efforts to date regarding ways to both passively and actively draw attention to important drug discovery trends while exploring compounds and assays.

Autonomous model building with a preponderance of well annotated assay protocols

Alex Clark

Cheminformatics as we know it is possible because so many molecular structures can be represented with datastructures and rules that are at first glance quite trivial. This first impression is highly misleading, since even within supposedly well behaved domains, edge cases arising from issues such as resonance, tautomerization, symmetry and stereochemistry - to name but a few - quickly add up. To supplement these genuine challenges, there is a whole additional class of problems caused by the mismatch between chemists' understanding of molecules and the datatypes that are necessary to capture a structure for informatics purposes. This line is blurred by the convenience of representing structures in a form that is very closely related to the diagram styles that have been in use since the dawn of chemistry. There are currently four major approaches to structure representation: connection tables (e.g. MDL Molfile), sketches (e.g. ChemDraw), canonical strings (e.g. SMILES and InChI) and atomic models (numerous 3D formats). Not only do all of these approaches have valid use cases, but they are deceptively incompatible with each other, even when addressing identical needs. Almost without exception, format conversions are not commutative, and every translation involves losing some amount of data. Given that recording chemical structures in machine readable form has become such a critical part of scientific research, it is essential to define a fundamental representation that captures the key structural definition asserted by the experimental chemist, for a broad and useful range of molecules, and ideally in a way that is closely related to visual drawing mnemonics. The number of data concepts needed to satisfy these conditions is quite small, and is mostly satisfied by the most commonly used subset of the venerable MDL Molfile format. This presentation will discuss how this subset, with a few minor corrections and clarifications, can and should be used as the reference standard for molecules, and how the informatics community can benefit from having well defined standards.

Representing molecules with minimalism: A solution to the entropy of informatics

Alex Clark

CDD BioAssay Express: Expanding the target dimension: How to visualize a lot ...

Alex Clark

BioAssay Express

Alex Clark

Society for Laboratory Automation & Screening, San Diego, January 2016. Presented by Dr. Alex M. Clark. Describes the use of open data resources (ChEMBL) to build target-activity models for drug discovery and toxicity prediction, on a massive scale, using a fully automated process. Concludes with a demo of the PolyPharma app, which shows how these models can be used for prospective drug discovery.

SLAS2016: Why have one model when you could have thousands?

Alex Clark

The anatomy of a chemical reaction: Dissection by machine learning algorithms

Alex Clark

Presented at American Chemical Society meeting, Boston, 2015. Describes how cheminformatics algorithms and visualisation interfaces have advanced on mobile apps to cover a diverse variety of functionality, increasingly calculated on the device itself rather than deferring to a web service. Culminates in a demo of the PolyPharma app prototype (see http://cheminf20.org/2015/08/06/the-polypharma-app-a-mash-up-of-ideas-and-technology)

Compact models for compact devices: Visualisation of SAR using mobile apps

Alex Clark

Chemical informatics technology can be of assistance to chemists for describing reactions in numerous ways, including calculating green chemistry metrics such as process mass intensity, E-factor and atom economy. To facilitate this, chemical reactions have to be described in more precise detail than is the norm for most chemists. There are also numerous practical ways to add more green chemistry functionality to lab notebooks, such as enumerating searchable reaction transforms for environmentally favourable reactions, automatically looking up toxicity and hazard information, and others which are mentioned in the slides. This presentation was given at the Green Chemistry & Engineering conference in 2015 (Americal Chemical Society Green Chemistry Insititute).

Green chemistry in chemical reactions: informatics by design

Alex Clark

Green chemistry is an important subject that needs to be a part of every chemist's education, as well as a part of the daily routine of the professional synthetic chemist. This talk describes how a new app can be used to bring green chemistry metrics to reaction descriptions, once they are captured in a proper cheminformatics format. It also describes some of the additional data resources that can be incorporated into the user experience, and how this helps both students and professionals.

ICCE 2014: The Green Lab Notebook

Alex Clark

Cloud hosted APIs for cheminformatics on mobile devices (ACS Dallas 2014)

Alex Clark

Building a mobile reaction lab notebook (ACS Dallas 2014)

Alex Clark

Reaction Lab Notebooks for Mobile Devices - Alex M. Clark - GDCh 2013

Alex Clark

More from Alex Clark (20)

Mixtures QSAR: modelling collections of chemicals

Mixtures InChI: a story of how standards drive upstream products

Mixtures as first class citizens in the realm of informatics

Mixtures: informatics for formulations and consumer products

Coordination InChI (2019)

Chemical mixtures: File format, open source tools, example data, and mixtures...

Bringing bioassay protocols to the world of informatics, using semantic annot...

ACS CINF Luncheon talk (Boston 2018)

Autonomous model building with a preponderance of well annotated assay protocols

Representing molecules with minimalism: A solution to the entropy of informatics

CDD BioAssay Express: Expanding the target dimension: How to visualize a lot ...

BioAssay Express

SLAS2016: Why have one model when you could have thousands?

The anatomy of a chemical reaction: Dissection by machine learning algorithms

Compact models for compact devices: Visualisation of SAR using mobile apps

Green chemistry in chemical reactions: informatics by design

ICCE 2014: The Green Lab Notebook

Cloud hosted APIs for cheminformatics on mobile devices (ACS Dallas 2014)

Building a mobile reaction lab notebook (ACS Dallas 2014)

Reaction Lab Notebooks for Mobile Devices - Alex M. Clark - GDCh 2013

Recently uploaded

Partners Life - Insurer Innovation Award 2024

The Digital Insurer

Strategies for Landing an Oracle DBA Job as a Fresher

Remote DBA Services

With more memory available, system performance of three Dell devices increased, which can translate to a better user experience Conclusion When your system has plenty of RAM to meet your needs, you can efficiently access the applications and data you need to finish projects and to-do lists without sacrificing time and focus. Our test results show that with more memory available, three Dell PCs delivered better performance and took less time to complete the Procyon Office Productivity benchmark. These advantages translate to users being able to complete workflows more quickly and multitask more easily. Whether you need the mobility of the Latitude 5440, the creative capabilities of the Precision 3470, or the high performance of the OptiPlex Tower Plus 7010, configuring your system with more RAM can help keep processes running smoothly, enabling you to do more without compromising performance.

Boost PC performance: How more available memory can improve productivity

Principled Technologies

Effective data discovery is crucial for maintaining compliance and mitigating risks in today's rapidly evolving privacy landscape. However, traditional manual approaches often struggle to keep pace with the growing volume and complexity of data. Join us for an insightful webinar where industry leaders from TrustArc and Privya will share their expertise on leveraging AI-powered solutions to revolutionize data discovery. You'll learn how to: - Effortlessly maintain a comprehensive, up-to-date data inventory - Harness code scanning insights to gain complete visibility into data flows leveraging the advantages of code scanning over DB scanning - Simplify compliance by leveraging Privya's integration with TrustArc - Implement proven strategies to mitigate third-party risks Our panel of experts will discuss real-world case studies and share practical strategies for overcoming common data discovery challenges. They'll also explore the latest trends and innovations in AI-driven data management, and how these technologies can help organizations stay ahead of the curve in an ever-changing privacy landscape.

TrustArc Webinar - Unlock the Power of AI-Driven Data Discovery

TrustArc

The 7 Things I Know About Cyber Security After 25 Years | April 2024

Rafal Los

As privacy and data protection regulations evolve rapidly, organizations operating in multiple jurisdictions face mounting challenges to ensure compliance and safeguard customer data. With state-specific privacy laws coming up in multiple states this year, it is essential to understand what their unique data protection regulations will require clearly. How will data privacy evolve in the US in 2024? How to stay compliant? Our panellists will guide you through the intricacies of these states' specific data privacy laws, clarifying complex legal frameworks and compliance requirements. This webinar will review: - The essential aspects of each state's privacy landscape and the latest updates - Common compliance challenges faced by organizations operating in multiple states and best practices to achieve regulatory adherence - Valuable insights into potential changes to existing regulations and prepare your organization for the evolving landscape

TrustArc Webinar - Stay Ahead of US State Data Privacy Law Developments

TrustArc

💉💊+971581248768>> SAFE AND ORIGINAL ABORTION PILLS FOR SALE IN DUBAI AND ABUDHABI}}+971581248768 +971581248768 Mtp-Kit (500MG) Prices » Dubai [(+971581248768**)] Abortion Pills For Sale In Dubai, UAE, Mifepristone and Misoprostol Tablets Available In Dubai, UAE CONTACT DR.Maya Whatsapp +971581248768 We Have Abortion Pills / Cytotec Tablets /Mifegest Kit Available in Dubai, Sharjah, Abudhabi, Ajman, Alain, Fujairah, Ras Al Khaimah, Umm Al Quwain, UAE, Buy cytotec in Dubai +971581248768''''Abortion Pills near me DUBAI | ABU DHABI|UAE. Price of Misoprostol, Cytotec” +971581248768' Dr.DEEM ''BUY ABORTION PILLS MIFEGEST KIT, MISOPROTONE, CYTOTEC PILLS IN DUBAI, ABU DHABI,UAE'' Contact me now via What's App…… abortion Pills Cytotec also available Oman Qatar Doha Saudi Arabia Bahrain Above all, Cytotec Abortion Pills are Available In Dubai / UAE, you will be very happy to do abortion in Dubai we are providing cytotec 200mg abortion pill in Dubai, UAE. Medication abortion offers an alternative to Surgical Abortion for women in the early weeks of pregnancy. We only offer abortion pills from 1 week-6 Months. We then advise you to use surgery if its beyond 6 months. Our Abu Dhabi, Ajman, Al Ain, Dubai, Fujairah, Ras Al Khaimah (RAK), Sharjah, Umm Al Quwain (UAQ) United Arab Emirates Abortion Clinic provides the safest and most advanced techniques for providing non-surgical, medical and surgical abortion methods for early through late second trimester, including the Abortion By Pill Procedure (RU 486, Mifeprex, Mifepristone, early options French Abortion Pill), Tamoxifen, Methotrexate and Cytotec (Misoprostol). The Abu Dhabi, United Arab Emirates Abortion Clinic performs Same Day Abortion Procedure using medications that are taken on the first day of the office visit and will cause the abortion to occur generally within 4 to 6 hours (as early as 30 minutes) for patients who are 3 to 12 weeks pregnant. When Mifepristone and Misoprostol are used, 50% of patients complete in 4 to 6 hours; 75% to 80% in 12 hours; and 90% in 24 hours. We use a regimen that allows for completion without the need for surgery 99% of the time. All advanced second trimester and late term pregnancies at our Tampa clinic (17 to 24 weeks or greater) can be completed within 24 hours or less 99% of the time without the need surgery. The procedure is completed with minimal to no complications. Our Women's Health Center located in Abu Dhabi, United Arab Emirates, uses the latest medications for medical abortions (RU-486, Mifeprex, Mifegyne, Mifepristone, early options French abortion pill), Methotrexate and Cytotec (Misoprostol). The safety standards of our Abu Dhabi, United Arab Emirates Abortion Doctors remain unparalleled. They consistently maintain the lowest complication rates throughout the nation. Our Physicians and staff are always available to answer questions and care for women in one of the most difficult times in their lives. The decision to have an abortion at the Abortion Cl

+971581248768>> SAFE AND ORIGINAL ABORTION PILLS FOR SALE IN DUBAI AND ABUDHA...

?#DUbAI#??##{{(☎️+971_581248768%)**%*]'#abortion pills for sale in dubai@

Real Time Object Detection Using Open CV

Khem

GenAI Risks & Security Meetup 01052024.pdf

lior mazor

Advantages of Hiring UIUX Design Service Providers for Your Business

Pixlogix Infotech

AWS Community Day CPH - Three problems of Terraform

Andrey Devyatkin

Three things you will take away from the session: • How to run an effective tenant-to-tenant migration • Best practices for before, during, and after migration • Tips for using migration as a springboard to prepare for Copilot in Microsoft 365 Main ideas: Migration Overview: The presentation covers the current reality of cross-tenant migrations, the triggers, phases, best practices, and benefits of a successful tenant migration Considerations: When considering a migration, it is important to consider the migration scope, performance, customization, flexibility, user-friendly interface, automation, monitoring, support, training, scalability, data integrity, data security, cost, and licensing structure Next Wave: The next wave of change includes the launch of Copilot, which requires businesses to be prepared for upcoming changes related to Copilot and the cloud, and to consolidate data and tighten governance ShareGate: ShareGate can help with pre-migration analysis, configurable migration tool, and automated, end-user driven collaborative governance

Strategize a Smooth Tenant-to-tenant Migration and Copilot Takeoff

sammart93

What is a good lead in your organisation? Which leads are priority? What happens to leads? When sales and marketing give different answers to these questions, or perhaps aren't sure of the answers at all, frustrations build and opportunities are left on the table. Join us for an illuminating session with Cian McLoughlin, HubSpot Principal Customer Success Manager, as we look at that crucial piece of the customer journey in which leads are transferred from marketing to sales.

04-2024-HHUG-Sales-and-Marketing-Alignment.pptx

HampshireHUG

Building Digital Trust in a Digital Economy Veronica Tan, Director - Cyber Security Agency of Singapore Apidays Singapore 2024: Connecting Customers, Business and Technology (April 17 & 18, 2024) ------ Check out our conferences at https://www.apidays.global/ Do you want to sponsor or talk at one of our conferences? https://apidays.typeform.com/to/ILJeAaV8 Learn more on APIscene, the global media made by the community for the community: https://www.apiscene.io Explore the API ecosystem with the API Landscape: https://apilandscape.apiscene.io/

Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...

apidays

A Domino Admins Adventures (Engage 2024)

Gabriella Davis

How to Troubleshoot Apps for the Modern Connected Worker

ThousandEyes

In this session, we will delve into strategic approaches for optimizing knowledge management within Microsoft 365, amidst the evolving landscape of Copilot. From leveraging automatic metadata classification and permission governance with SharePoint Premium, to unlocking Viva Engage for the cultivation of knowledge and communities, you will gain actionable insights to bolster your organization's knowledge-sharing initiatives. In this session, we will also explore how to facilitate solutions to enable your employees to find answers and expertise within Microsoft 365. You will leave equipped with practical techniques and a deeper understanding of how there is more to effective knowledge management than just enabling Copilot, but building actual solutions to prepare the knowledge that Copilot and your employees can use.

Strategies for Unlocking Knowledge Management in Microsoft 365 in the Copilot...

Drew Madelung

This presentation explores the impact of HTML injection attacks on web applications, detailing how attackers exploit vulnerabilities to inject malicious code into web pages. Learn about the potential consequences of such attacks and discover effective mitigation strategies to protect your web applications from HTML injection vulnerabilities. for more information visit https://bostoninstituteofanalytics.org/category/cyber-security-ethical-hacking/

HTML Injection Attacks: Impact and Mitigation Strategies

Boston Institute of Analytics

How to Troubleshoot Apps for the Modern Connected Worker

ThousandEyes

Bajaj Allianz Life Insurance Company - Insurer Innovation Award 2024

The Digital Insurer

Recently uploaded (20)

Partners Life - Insurer Innovation Award 2024

Strategies for Landing an Oracle DBA Job as a Fresher

Boost PC performance: How more available memory can improve productivity

TrustArc Webinar - Unlock the Power of AI-Driven Data Discovery

The 7 Things I Know About Cyber Security After 25 Years | April 2024

TrustArc Webinar - Stay Ahead of US State Data Privacy Law Developments

+971581248768>> SAFE AND ORIGINAL ABORTION PILLS FOR SALE IN DUBAI AND ABUDHA...

Real Time Object Detection Using Open CV

GenAI Risks & Security Meetup 01052024.pdf

Advantages of Hiring UIUX Design Service Providers for Your Business

AWS Community Day CPH - Three problems of Terraform

Strategize a Smooth Tenant-to-tenant Migration and Copilot Takeoff

04-2024-HHUG-Sales-and-Marketing-Alignment.pptx

Apidays Singapore 2024 - Building Digital Trust in a Digital Economy by Veron...

A Domino Admins Adventures (Engage 2024)

How to Troubleshoot Apps for the Modern Connected Worker

Strategies for Unlocking Knowledge Management in Microsoft 365 in the Copilot...

HTML Injection Attacks: Impact and Mitigation Strategies

How to Troubleshoot Apps for the Modern Connected Worker

Bajaj Allianz Life Insurance Company - Insurer Innovation Award 2024

Alex M. Clark, Chemical Education, ACS 2012 Philadelphia

2. Apps • Already making an impact on education • Plenty of content consumption - apps have always been good for that • But what about content creation? • Much harder, especially for chemical structures

3. Draw a molecule • Being able to specify a molecule opens doors Is it valid? Present it Obtain Lookup in Share it properties catalog

4. + MolPrime main menu pic • Available for iOS, with Android coming soon

5. Sketching • Sketcher is designed for optimal use on small screens • Gestures, tools, templates: for drawing perfect structures, with minimum interaction • Basic primitives for molecular diagram sketching, Journal of Cheminformatics, 2:8 (2010)

6. Validity • Property calculation includes valence checking • Identify basic problems with structures • Drawing errors or chemistry misunderstandings lead to invalid oxidation states

7. Properties • Scalar properties can be derived from the structure... • Simple properties are calculated on the device: - molecular formula & weight - atom-type counts - rotatable bonds • Detailed calculations via webservice: - log P - molar refractivity - topological polar surface area

8. Stereochemistry • Webservice for calculating stereochemistry: - chirality (R/S) - double bonds (E/Z) • Use the app to draw the molecule and obtain the correct answer

9. Tautomers • Webservice can calculate tautomers and provide an interconversion graph • App allows navigation through tautomer space

10. Mass spectroscopy • Can calculate the isotopic mass distribution, and exact mass, based on the structure • Helps with assigning mass spectra

11. Lookup online • Many ways to lookup molecular structure in online: e.g. Open with the ChemSpider Mobile app • Can also search SPRESI, Mobile Reagents, PubChem, ChEBI, eMolecules

12. Presentation • Can copy bitmap to clipboard: paste into iWork • Or create vector graphics (SVG, EPS, Word/Excel) Vector Bitmap

13. Sharing: Email • Initiate an email, with an image, source data... • Recipient can view the picture... • ... and open the data: with an app, or any other platform software.

14. Sharing: Web • Upload to molsync.com • View public link • Can share the link with anyone, e.g. via social networks • Can download the structure in many formats, including graphics

15. Twitter • Can tweet from app using iOS Twitter integration • Uploads molecule to website • Includes the link within the tweet • Link provides viewing and access to the data

16. See Also http://molmatinf.com/products.html 1.5 Mobile Molecular Open Drug Discovery DataSheet (MMDS) Teams (ODDT) with Collaborations in Chemistry MolSync ChemSpider Mobile with Royal Society of Chemistry SAR Table SPRESI mobile with InfoChem MolPrime Reaction101 with Eidogen-Sertanty Green Solvents Yield101 with Eidogen-Sertanty

17. Conclusion • Numerous ways to teach chemistry, using molecular structures • Useful pedagogical tools already available, starting with structure drawing • This is just the http://molmatinf.com beginning... so many http://molsync.com more ideas to explore. http://cheminf20.org @aclarkxyz 17

Alex M. Clark, Chemical Education, ACS 2012 Philadelphia

Recommended

Recommended

More Related Content

Similar to Alex M. Clark, Chemical Education, ACS 2012 Philadelphia

Similar to Alex M. Clark, Chemical Education, ACS 2012 Philadelphia (20)

More from Alex Clark

More from Alex Clark (20)

Recently uploaded

Recently uploaded (20)

Alex M. Clark, Chemical Education, ACS 2012 Philadelphia