Generate MACCS keys from SMILES.

Now we want to get structure information of the compounds from PubChem (in isomeric SMILES). In [27]:

The bit string of a float consists of three parts, the significand and exponent bits, which are like scientific notation, and a sign bit

Stereochemical layer double bonds and cumulenes (prefix: "b") tetrahedral stereochemistry of atoms and allenes (prefixes: "t", "m") type of stereochemistry information (prefix: "s")

From urban noise pollution totemperature, humidity and light inrural environments, the issues at thecore of each Barcelona pilot were verydifferent. Accordingly, we re

e Jupyter Lab interface sends a request to the server to open a .ipynb file. The server s

ote that the json output format is used in the above request. The “txt” output format in PUG-REST returns data into a single column but the result from the above request cannot fit well into a single column.

pugopt = "list_return=flat" url = prolog + '/' + pugin + '/' + pugoper + '/' + pugout + "?" + pugopt res = requests.get(url) print(res.text)

mpound/cid/4485,4499,5026,5734,8082" pugoper = "property/HBondDonorCount,HBondDonorCount,XLogP,TPSA" pugout = "csv"

ython comes with many built-in functions, but you can also build your own. Chunking blocks of code into functions is one of the best strategies to deal with complex programs. It makes you more efficient, because you can reuse the code that you wrote

This is slightly above the ESP32’s recommended ADC input range (0–3.3V) — so there may be risk of overvoltage. The actual safe range depends on the specific ESP32 board (some tolerate up to 3.6V), but this is borderline.

Custom pin selection (GPIO35 for SDA and GPIO34 for SCL) is unusual — those GPIOs are input-only on many ESP32 boards. If this works, it may be a board-specific configuration or a misunderstanding (we'll verify when reviewing the code).

ta = requests.get(path.replace("**", searchcode)) # request data from the Gold Book server jsondata = json.loads(reqdata.content) # get the downloaded JSON print(jsondata)

Check Yourself: We predicted earlier that our answer should be closer to the mass of Ne-20 (19.992 amu) instead of Ne-21 or Ne-22 because it has the greatest natural abundance, and thus, impacts the average more. We can see that the math does align with our logic!

Students will be expected to experiment with multiple AIs in this course, and are expected to buy a subscription

You may ask why is this important? One example often used in textbooks is the biological significance of two sterioisomers of thalidomide, a chemical used as an antidepressant for pregnant mothers in the 1960s. In synthesizing the chemical the "drug" was actually a mixture of both isomers, one of which was an effective medication and the other of whi

Wiki pages are user-written articles on a range of subjects. Any contributor or a group of

rite a Python function that calculates the percentage of missing values for a certain data series. Use the function to calculate the percentage of missing values for the abv and ibu data sets. For the origi

his is a new data type for us: a pandas DataFrame. From the pandas documentation: "A DataFrame is a 2-dimensional labeled data structure with columns of potentially different types" [4]. You can think of it as the contens of a

Freefall with air resistance is a more realistic model.

Thus, individual projects should include clearly stated goals, specific descriptions of the activities that the PI intends to do, and a plan in place to document the outputs of those activities.

All proposals submitted to the CC* program, except for submissions in response to Area (5) Strategy, must include a Campus CI plan within which the proposed CI improvements are conceived, designed, and implemented in the context of a coherent campus-wide strategy and approach to CI that is integrated horizontally intra-campus and vertically with regional and national CI investments and best practices. This Campus CI plan must be included as a Supplementary Document and is limited to no more than 5 pages. Proposals missing a Campus CI Plan as a supplementary document will be returned without review.

Campus proposals may request funding for the acquisition of a shared, high-performance network-connected compute resource available to scientific computing users on campus and outside of campus. Proposals for the Region

Computers in Chemical Education

For example, Joss et al. presented a classroom activity for predicting the normal boiling point of organic compounds using multivariate linear regression and artificial neural networks, two typical machine learning algorithms. (21) In turn, Antonelli et al. generated a lab activity for multivariate calibration using partial least-squares regression on the programing language R. (22) These hands-on experiences are a valuable asset for incorporating computational skills via the exposition of new tools to solve relevant problems in chemistry and, by doing so, to promote collaborative work and the democratization of knowledge. (13)Several general courses consisting of one or two sessions have been implemented before, including programming, data visualization, and machine learning, among others topics. As an example, The Carpentries, (23) a project focused on teaching computing skills to researchers, has hosted a number of such courses. Another important organization is the Molecular Sciences Software Institute (MolSSI), which has organized several computational chemistry-related courses. (24

Next, please log in to your Adafruit account and create a quote using the wishlist tool. Save the quote as a PDF and provide it to your school or institution to use as the basis for the official purchase order document. Once you have an official purchase order document, please move the items in your wishlist to your cart and proceed to checkout, selecting “Purchase Order - Check” as the payment option. After you place your order online, please send your official purchase order document along with your Adafruit order number to support@adafruit.com. This is the fastest way to get your PO processed and will reduce errors and delays.

5V Pin / VBUSThe Nano ESP32 is the first board to not feature a 5V pin. It has instead been replaced with VBUS, which is a more accurate description of the pin's capabilities.VBUS provides 5 V whenever powered via USB. If powered via the VIN pin, it is disabled. This means that while powering the board through the VIN pin, you can't get 5 V from the board, and you need to use a logic level shifter or an external 5 V power supply.

Docstrings versus Block comments

Mosaic was the first browser to explore the concept of collaborative annotation in 1993[2

text in draw.io diagrams

Visual Studio Code has integrated source control management (SCM) and includes Git support out-of-the-box. Many other source control providers are available through extensions on the VS Code Marketplace

Analog Pins (Pins A0-A06) - The 7 analog pins are used to emasure analog voltage in the range 0- 3.3V with a resolution of 10 bit.

Academic Technology and Computing Committee: This committee shall be concerned with University computing services policies that affect academic programs and the general interest of UALR. This committee serves as a formal communication channel for the faculty and students with Information Technology Services. The Vice Chancellor of Information Services shall keep the committee informed on issues, policies, and resource allocations affecting the academic community via technology and computing at the university level. On an annual basis the committee shall review Information Technology Services’ policies as they affect the academic community. This review should include examining the impact of resource allocation of new technology to the learning process in a benefit/cost framework. In addition, the committee will consult with the Vice Chancellor of Information Services concerning budgets, both current and future, projected and actual expenditures. The committee shall furnish a report of their review and budget conference to the Faculty Senate by March 15 of each year. The Academic Technology and Computing Committee shall be composed of one library faculty and three full-time faculty members from each college appointed to two year staggered terms by the Committee on Committees. In addition, two students shall be named by the Student Government Association to serve one year terms. The Vice Chancellor of Information Services and the executive vice chancellor and provost or their designees shall serve as ex officio members without vote. Any faculty member holding a position of “faculty in residence” within Information Technology Services may serve as a voting committee member during their appointment to such post.

2) ask students to create usernames that contains a variation of their UA Little Rock username or name as it appears on the consent form so we can track student who choose or cho

water quality objectives for the end uses. In the case of a potable water supply, water is treated to minimize the risk of infectious disease transmission, the risk of non-infectious illness, and to create a palatable water flavor. Water distribution systems[22][23] are designed and built to provide adequate water pressure and flow rates to meet various end-user needs such as domestic use, fire suppression, and irrigation. Wastewater treatment

e this in the following table for the reaction, where A, B and C are reactants, and the order of reaction is m for A, n for B and p for C, with an overall order ΘΘ\Theta= m+n+p

r negative end of a dipole) approached a neutral molecule, the opposite would occur, as it would repel electrons, inducing a positive dipole in the neutral molecule that is near it,

equation for dipole-dip

l, 98.89% of the carbon atoms also contain 6 neutrons, so each has a mass number of 12. An isotope of any element can be uniquely represented as AZX, where X is the atomic symbol of the element, A is the mass number and Z is the atomic number. The isotope of carbon that has 6 neutrons is therefore 126C. The subscript indicating the atomic number is actually redundant because the atomic symbol already uniquely specifies Z. Consequently, it is more often written as 12C, which is written as “carbon-12,”  (14C, would thus be written as “carbon-14.”) Nevertheless, the value of Z is commonly included in the notation for nuclear reaction

s shared under a CC BY-NC-SA 4.0 license a

But there is another goal for safety, and this deals with safety literacy in the digital age, that is, in this age of instant information, where people can post false claims online, it is important that students develop the skills to evaluate chemical safety information.

second is to develop the proper protocols and procedures for performing experimental activities so that when the student enters advanced courses or the work force, t

e of tax deductions and tax credits. The Alternative Minimum Tax w

First, let's get a list of SIDs that are associated CID 1174 (uracil)

tion, the orbitals associated with the group in conjugation with the dienophile double-bond overlap with the interior orbitals of the diene, a situation that is possible only for the endo transition state. Although the original explanation only invoked the orbital on the atom α to the dienophile double bond, Salem and Houk have subsequently proposed that orbitals on the α and β carbons both participate when molecular geometry allows.[25]

thon includes the following list functions −

Discuss how you will identify additional areas of expertise that may be needed

Phase 1 Full Proposals

Letters of Intent (required):

Broadening Participation Plan (under Broader Impacts) that describes activities that will be undertaken to include the participation of the full spectrum of diverse talent in STEM

KEY COMPONENTS OF THE NSF CONVERGENCE ACCELERATOR

Convergence Research

Track L: Real-World Chemical Sensing Applications

The InChI OER is an Open Education Resource (OER) devoted to the use of InChI, the International Chemical Identifier.  Chemical nomenclature underpins chemical communication and with its release in 2005, the InChI initiative of the International Union of Pure a

, an arithmetic operator in Python is not a function. An arithmetic operator is a symbol that performs

Formatting The string format

1.7.1 Math functions

The resume for each individual must not exceed twoconsecutively numbered (bottom center), 8.5x11-

Relevancy Review

All eligible grant applications will be peer reviewed by an external peer review panel based onthe criteria below. Each of the four criteria categories are equally weighted

Letters of Intent/Letters of Support

Budget Justification

Scientific Data Management Plan (2 pages)

Project Narrative, su

Research Plan

SF-424A Budget Information - Non-Construction Programs

Standard Form 424

All applications must include a Human Subjects ResearchStatement (

Applicants will also be asked toprovide past performance information on whether journal publications or associated authormanuscripts, and the associated underlying scientific research data and metadata

ncement shall include a Scientific Data ManagementPlan (SDMP) that addresses public access to EPA-funded scientific research data.

Research applications mustinclude a discussion on how the proposed research will seek sustainable solutions that protect theenvironment and strengthen our communities

“output” means an environmental activity, effort, and/or associatedwork products related to an environmental goal or objective, that will be produced or providedover a period of time or by a specified date. The term “outcome” means the result, effect, orconsequence that will occur from carrying out an environmental program or activity that isrelated to an environmental or programmatic goal or objective

e. Generally, a projectmust address the causes, effects, extent, prevention, reduction and elimination of air pollution,water pollution, solid/hazardous waste pollution, toxic substances control or pesticide controldepending on which statute(s) is listed above

. These outputs can be presented in publications, at the P3 Expo, andconferences.

pplicants must address one of the research areas listed below in their applications. Note thateach application must be submitted using a single Funding Opportunity Number (FON).

Goal 4: Ensure Clean and Healthy Air for All Communities,• Objective 4.1: Improve Air Quality and Reduce Localized Pollution and HealthImpacts

EPA also requires that grant applicants adequately describe environmental outputs and outcomesto be achieved under assistance agreements

his is accomplished in part by supporting the development and demonstration ofemerging technologies. The pr

P3 projects shouldengage and educate the next generation of scientists, engineers, and the greater academic andexternal communities in understanding an

differing departments collaborate. P3 encourages diverse, interdisciplinary teamsrepresenting a broad set of perspectives and ideas. Each student team must include a facultyadvisor, t

’s structure has been modified to emphasize andstrengthen its focus on innovation and increase the number of teams that can advance theirdesign concepts to the demonstration stage.

he program challenges and empowers interdisciplinary student teams totransform their classroom learning into hands-on experience by designing and demonstratingtangible solutions to real-world environmental issues in their communities

A STEM education ecosystem consists of partners united by acollective vision of supporting

How is the P3 Program different th

uploaded over 2,480,340 3D models

how to use low-cost sensors to provide real-time, local-scale air quality information. EPA and state and local agencies face persistent challenges meeting such air quality information needs, including challenges in understanding the performance of low-cost sensors.

An Internet of Things-based Air Pollution Detection System

ince September 17, the extens

Sensor technology is getting cheaper and better. Sensors to measure air quality are also

f you have a sensor kit from Hollandse Luchten, we urge you to disconnect the humidity meter. We recently found out that the humidity

ome of the sensors in Beverwijk

What is the relationship between humidity and the amount

ounting & Using the AIR

ssembly and Installation Manual

his repo contains documentation, source files and code for

ost commercially available sensors are expensive, and cannot be altered orextended to accommodate your specific data collection needs. In open hardware

Download the Fab Labs list

oin the Fablab Network, an international movement in personal fabricatio

Developing a portable air quality monitor to mea

These ‘HoLu kits’ are being distributed in pilots to residents who live in regions where the air quality is poor, such as around the Tata steel factory in the IJmond area. We teach citizens to measure the surrounding air quality and to interpret the data.

but EPAs and citizen science project leaders needto address issues of data quality and sensor calibration

he RIVM and the DutchMinistry for Infrastructure and the Environment (responsible for air qual-ity in the Netherlands) agreed to start a programme to innovate itsnational air quality measurement network (LML)

from in situ sensors.

for making, learning, exploringand sharing technologies. Open to a diverse community (from kids to bud-ding entrepreneurs), makerspaces seek to provide hands-on learning,support community interests and creative expression, and foster criticalthinking, particularly linked to STEM education

Different types of technologies and supporting resources usedin citizen science

explicit (whencitizens collect the data themselves) or implicit (when contributors sharegeolocated photographs, videos or messages on social media

This is followed by a discussion of how keytechnological developments have created and expanded opportunities forcitizen participation. T

Such data collection generally followed apaper-based approach, with volunteers either systematically recordingobservations or individually sending evidence such as photographs orspecimens to professional scientists, along with key metadata such asobservation time and location

EPA Solicitation Clauses

In OOP, objects are used to represent real-world entities, and the methods (i.e., functions) and attributes (i.e., v

Project description sensortoolkit - Air Sensor Data Analysis Library

Conductivity Measurements

It is a standard practice to test 3 or more identicalsensors at the same time because

, the U.S.EPA published reports (hereincalled ‘Targets Reports’) thatprovide recommendations on howto evaluate air sensors thatmeasure criteria pollutan

Developing correction algorithms is an activeresearch area with new approaches andmethods likely to evolve over time.

The collocation results can be used to correct the sensor data to more closely match thedata from the reference instrument. This correction process helps account for known biasand unknown interferences from weather and other pollutants and is typically done bydeveloping an algorithm. An algorithm can be a simple equation or more sophisticatedprocess (e.g., set of rules, machine learning) that is applied to the sensor data. This sectionfurther discusses the process of correcting sensor data

deally, sensors would be setupwithin about 20 meters of horizontal distance and 1 meter or vertical distance from thereference instrument.

Collocation-Correctionprocess

This can be accomplished by collocating all air sensors to evaluate theprecision and bias of each air sensor’s data and

For solar-powered devices, users should consult themanufacturer to ensure proper sizing of the solar components for the device and theavailable sunlight at the monitoring location (e.g., latitude, longitude, season) andinformation about proper placement, orientation, and maintenance.

Performance Testing Protocols

: Opacity and Explainable AI

In essence the vapor pressure above a liquid represents the partitioning of the particles between two phases, the liquid and the gas, that is, there is a fraction of the particles in each phase. There is an interplay between the enthalpy of vaporization (the higher it is, the more they want to be in the liquid phase) and the kinetic energy. The equation that describes this is the Clausius-Clapeyron, which is an exponential function. Like any exponential function, there are two forms, the exponential form, and the natural log form 

resources of perlite existing in Armenia amount to 150 million m3, whereas the total amount of projected resources re

Laptops for Semester Checkout The library has a limited number of laptops available for students to check out for the entire semester. These laptops are available to students on a first-come, first-served basis and may only be approved for check out after discussing needs and resources with a UA Little Rock Care Team member.

structuring or classification of folksonomy is termed folksontology.[28] This branch of ontology deals with the intersection between highly structured taxonomies or hierarchies and loosely structured folksonomy, asking what best features can be taken by both for a system of classification. The strength of flat-tagging schemes is their ability to relate one item to others like it. Folksonomy allows large disparat

The coordinator node also changed from a first version to a last one but all of them have thesame architecture

One must be able to add one's own private links to and from public information. One must also be able to annotate links, as well as nodes, privately.

443. InChI OER. R.E. Belford, J. Cuadros, A.P. Cornell, T. Gupta, E.C. Bucholtz

continuous shape measure

Other learning goals which ar

ocus on applying the method to explore three symmetry-related phenomena – molecular distortion paths, protein structure and chirality.

continuous symmetry measures (CSMs)

he following January, with 99.94 percent officially listed as voting "yes".[94] Napoleon's brother, Lucien, had falsified the returns to show that 3 million people had participated in the plebiscite. The real number was 1.5 million.[93] Political observers at the time assumed the eligible French voting public numbered about 5 million people, so the regime artificially doubled the participation rate to indicate popular enthusiasm for the consulate.[93] In the first few months of the consulate, with war in Europe still raging and internal instability still plaguing the country, Napoleon's grip on power remained very tenuous.[95] In the spring of 1800, Napoleon and his troops crossed the Swiss Alps into Italy, aiming to surprise the Austrian armies that had reoccupied the peninsula when Napoleon was still in Egypt.[f] After a difficult crossing over the Alps, the French army entered the plains of Northern Italy virtually unopposed.[97] While one French army approached from the north, the Austrians were busy with another stationed in Genoa, which was besieged by a substantial force. The fierce resistance of this French army, under André Masséna, gave the northern force some time to carry out their operations with little interference.[98] The Battle of Marengo was Napoleon's first great victory as head of state. After spending several days looking for each other, the two armies collided at the Battle of Marengo on 14 June. General Melas had a numerical advantage, fielding about 30,000 Austrian soldiers while Napoleon commanded 24,000 French troops.[99] The battle began favourably for the Austrians as their initial attack surprised the French and gradually drove them back. Melas stated that he had won the battle and retired to his headquarters around 3 pm, leaving his subordinates in charge of pursuing the French.[100] The French lines never broke during their tactical retreat. Napoleon constantly rode out among the troops urging them to stand and fight.[101] Late in the afternoon, a full division under Desaix arrived on the

A node may have several applications running on it (several sensors) each of which is an application. These application instances on a node are said to be endpoints, where messages can originate and terminate.

In python there is no character data type, a character is a string of length one. It is represented by str class.

We will use the terms “leading,” “trailing,” and “captive” for the zeros and will consider how to deal with them.

achieve excellence in U.S. science, mathematics, engineering, and technology education at all levels. The core strategies NSF staff employ include developing intellectual capital, strengthening the physical infrastructure, integrating research and education, and promoting partnerships.

was dissolved in 500g of water at 30.

The watt balance is predicated on an even more troublesome artifact.

Do you want to be the master or the servant?

You should then see a blue screen with options in a grey box:

PSK (Password): SecrectPassWord

Arkansas law prohibits the use of a hand-held cell phone for texting, typing, email or accessing the internet while driving, regardless of the driver's age.

2.6. Types of Bonds and the Ketelaar Triangle

annotation you can easily find it by going to your homepage in hypothes.is and then filtering by tags.  So you may want to make tags like "exam 1", or "nomenclature".  If you then filter with your hypothes.is user name and exam 1, you see those items you tagged (see video 11\PageIndex{1} at 3:00 min.  If you just do exam 1, you filter for everything the class tagged exam 1.  You can then click the contextual link by the annotation, and hypothes.is will open that page, navigate to the highlighted text and display the annotation. (Note: In LibreText the highlights are hidden by default, and you need to click the "eye" with the slash over it (figure 22\PageIndex{2}.  

n annotation you simply highlight the text you want to annotate, choose "Annotate" and write in the overlay.   Note, the first time you open up a page it will post to "Public" and you need to change that to your class group.  Once you have started posting to the class group that will be the default option, but initially the default is publ

. Annotations can be used in two fundamentally different ways.  First, through the proper use of tags you can use it as a tool to assist you in organizing your notes and preparing for exams, quizzes and laboratory experiments. Second, if annotations are posted to your class group you can use it as a tool to communicate with your instructo

Note that the index values below refer to the row numbers in the training data DataFrame. For example, idx_notCarbonyl=1 selects the molecule in row 0 of the training data, which is hexanal. If you want to select 12-selenazole in row 3 instead, change the line of code to read idx_notCarbonyl=3.

used in two fundamentally different ways.  First, through the proper use of tags you can use it to organize your no

n the gas phase, ozone reacts with hydrogen sulfide to form sulfur dioxide: H2S + O3 → SO2 + H2O In an aqueous solution, however, two com

Metacognition is "thinking about thinking"

For example, consider the following without these commands:

rendering of complicated mathematics, there's also a great app called MathPix that you can get on your smart phone and computer that will allow you to scan or select an equation, and it will give you the LaTeX for it.  Since your account synchs between the phone app and the computer, you can access the resulting LaTeX on your computer to copy and paste into LibreTexts.  You can also select an image of an equat

he above video shows, placing zinc metal into the copper(II) solution results in a spontaneous redox reaction (ΔG<0ΔG<0\Delta G <0), and if we placed the copper metal into the zinc solution no reaction would occur (ΔG>0ΔG>0\Delta G >0). In an electrochemical cell, we allow electrons to be transferred, which will spontaneously occur in the direction of ΔG<0ΔG<0\Delta G <0, and a cell operating in this fashion is called a galvanic or voltaic cell, which can be used to provide energy to do work, like the common "battery" we use in flashlights and electrical devices. Just as

No one is perfect and you might come across some parts in Fritzing that just don’t fit the breadboard. For example, depending on the library version, your Adafruit T-Cobbler Plus could be the wrong size

will start by solving the single reactant rate law. Then show how to reduce multi-reactant problems to single reactant problems. We will also introduce two different techniques for solving these. First the Ratio (Two State) Technique, which works well for "precise data", and then the graphing technique, which needs to be used when the data is unpreci

to reduce the number of independent variables to one. This is done by making successive measurements where all reactant concentrations are held constant except for one, with that data showing the rate law as expressed for that reactant, and it can then be solved as a single reactant problem This lesson will start by solving the single reactant rate law. Then show how to reduce multi-reactant problems to single reactant problems. We will also introduce two different techniques for solving these. First the Ratio (Two State) Technique, which works well for "precise data", and then the graphing technique, which needs to be used when the data is unprecise data.

embedded are provided below.

he left part of Figure 12.7 b shows two isobaric transitions for converting ice to steam. The top transition at 1 atm is above the triple point and so liquid water is stable, while the lower transition is below the triple point and the ice sublimes to steam without ever forming a liquid phase. It is important to understand the relationship of these graphs and the differences. The phase diagram represents the phase that would exist for a system at equilibrium as a function of the pressure and temperature. The ri