scholarly journals Chemoinformatics-based enumeration of chemical libraries: a tutorial

2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Fernanda I. Saldívar-González ◽  
C. Sebastian Huerta-García ◽  
José L. Medina-Franco

Abstract Virtual compound libraries are increasingly being used in computer-assisted drug discovery applications and have led to numerous successful cases. This paper aims to examine the fundamental concepts of library design and describe how to enumerate virtual libraries using open source tools. To exemplify the enumeration of chemical libraries, we emphasize the use of pre-validated or reported reactions and accessible chemical reagents. This tutorial shows a step-by-step procedure for anyone interested in designing and building chemical libraries with or without chemoinformatics experience. The aim is to explore various methodologies proposed by synthetic organic chemists and explore affordable chemical space using open-access chemoinformatics tools. As part of the tutorial, we discuss three examples of design: a Diversity-Oriented-Synthesis library based on lactams, a bis-heterocyclic combinatorial library, and a set of target-oriented molecules: isoindolinone based compounds as potential acetylcholinesterase inhibitors. This manuscript also seeks to contribute to the critical task of teaching and learning chemoinformatics.

1994 ◽  
Vol 22 (6) ◽  
pp. 474-480
Author(s):  
David Dewhurst ◽  
Ian Hughes ◽  
Richard Ullyott

An interactive computer-assisted learning program is described, which simulates a number of experiments which can be performed on the isolated, innervated duodenum of the rabbit (the Finkleman preparation). This preparation is one of the classical pharmacological preparations used to demonstrate to undergraduate students the effects of selected drugs: those acting on adrenoceptors or intestinal smooth muscle, or those affecting responses to sympathetic nerve stimulation. The program runs on any IBM compatible PC, and makes use of text and high resolution graphics to provide a background to the experiments and to describe the methodology. A screen display which emulates a chart recorder presents simulated results (spontaneous or evoked contractions of the gut), derived from actual data, in response to the selection by students of predetermined experimental protocols from a menu. The program is designed to enhance or replace the traditional laboratory-based practical using this preparation, whilst achieving the majority of the same teaching and learning objectives.


Synthesis ◽  
2021 ◽  
Author(s):  
Michael P. Badart ◽  
Bill C. Hawkins

AbstractThe spirocyclic motif is abundant in natural products and provides an ideal three-dimensional template to interact with biological targets. With significant attention historically expended on the synthesis of flat-heterocyclic compound libraries, methods to access the less-explored three-dimensional medicinal-chemical space will continue to increase in demand. Herein, we highlight by reaction class the common strategies used to construct the spirocyclic centres embedded in a series of well-studied natural products.1 Introduction2 Cycloadditions3 Palladium-Catalysed Coupling Reactions4 Conjugate Additions5 Imines, Aminals, and Hemiaminal Ethers6 Mannich-Type Reactions7 Oxidative Dearomatisation8 Alkylation9 Organometallic Additions10 Conclusions


2008 ◽  
Vol 1 (3) ◽  
pp. 89-101
Author(s):  
Mark Sandle ◽  
Gary Taylor ◽  
Penny Welch

Geoff Timmins, Keith Vernon and Christine Kinealy (2005) Teaching and Learning HistoryReview by Mark SandleLorraine McIlrath and Iain Mac Labhrainn (eds) (2007) Higher Education and Civic Engagement: International PerspectivesReview by Gary TaylorJoanna Bull and Colleen McKenna (2004) Blueprint for Computer-Assisted AssessmentReview by Penny WelchPeter Redman (2006) Good Essay WritingReview by Penny Welch


2020 ◽  
Vol 9 (2) ◽  
pp. 39-47
Author(s):  
Tatsuya Nakata ◽  

Four papers by Clint Denison and Imogen Custance, Louis Lafleur, James Rogers, and Andrew Obermeier will be presented at the Eighth Annual JALT Vocabulary SIG Symposium in Tokyo, Japan, on September 20, 2020. The topics covered in the four papers are vocabulary learning using online student-created vocabulary lists, development of a flashcard program that manipulates the review schedule and question format, creation of a list of multi-word units based on corpora, and examination of the acquisition of declarative and tacit vocabulary knowledge from deliberate computer-assisted learning. This commentary briefly summarizes each study and offers suggestions for future research. All of the four studies exhibit how computer technology can be used to facilitate vocabulary research, teaching, and learning.


2020 ◽  
Vol 58 (4) ◽  
pp. 897-996
Author(s):  
Maya Escueta ◽  
Andre Joshua Nickow ◽  
Philip Oreopoulos ◽  
Vincent Quan

In recent years, there has been widespread interest around the potential for technology to transform learning. As investment in education technology continues to grow, students, parents, and teachers face a seemingly endless array of education technologies from which to choose—from digital personalized learning platforms to online courses to text message reminders to submit financial aid forms. Amid the excitement, it is important to step back and understand how technology can help—or in some cases hinder—learning. This review article synthesizes and discusses rigorous evidence on the effectiveness of technology-based approaches to education in developed countries and outlines areas for future inquiry. In particular, we examine randomized controlled trials and regression discontinuity studies across the following categories of education technology: (i) access to technology, (ii) computer-assisted learning, (iii) technology-enabled behavioral interventions in education, and (iv) online learning. We hope this synthesis will advance academic understanding of how technology can improve education, outline key areas for new experimental research, and help drive improvements to the policies, programs, and structures that contribute to successful teaching and learning. (JEL H52, H75, I20, O33)


Author(s):  
Kijpokin Kasemsap

This chapter explains the overview of Technology-Enhanced Language Learning (TELL); the overview of Computer-Assisted Language Learning (CALL); the relationship between Computer-Mediated Communication (CMC) and language learning; the overview of Mobile-Assisted Language Learning (MALL); and the technological utilization for language learning in the digital age. TELL, CALL, and MALL significantly deal with the impact of technology on teaching and learning the second language or foreign language. TELL, CALL, and MALL are the utilization of the advanced devices as the technological innovation to display multimedia as the modern language learning methods in the digital age. TELL, CALL, and MALL effectively improve learning motivation and develop better attitudes in students and language learners toward language learning. The chapter argues that encouraging the applications of TELL, CALL, and MALL has the potential to improve language learning performance and reach strategic goals in the modern language learning environments.


2019 ◽  
Vol 5 (1) ◽  
pp. 37
Author(s):  
Javed Iqbal Mirani ◽  
Shokat Ali Lohar ◽  
Abdul Razaque Lanjwani Jat ◽  
Muhammad Faheem

The use of computer technology has become compulsory in education particularly in foreign language teaching and learning. It is known as Computer Assisted Language Learning (CALL). Language teachers and learners usually take more interest to utilize technology like mobile phone, computer, and internet in their teaching and learning. CALL has unlocked innovative dimensions in learning. Further, CALL offers advanced learning and teaching methods such as Audio–Video, Cognitive and Communicative approaches. Learning with help of CALL improves students’ cognitive and communicative abilities more as compare to traditional methods of teaching and learning. Cognitive learning makes learner responsible for his own learning and communicative approach improves learner communication skills in the language. It is necessary to consider major aspects of CALL. This paper discusses detail information about Computer Assisted Language Learning (CALL). The overview focus is especially on the development of CALL, Challenges and Future Impact on language teaching and learning.


1999 ◽  
Vol 21 (3) ◽  
pp. 502-503
Author(s):  
Carol A. Chapelle

The papers in Language learning through social computing introduce the classroom practices and philosophical underpinnings of computer-assisted language learning (CALL), which builds on collaborative approaches to L2 teaching and learning. The majority of the essays address general issues in collaborative learning through CALL, describing the authors' experience and reflections on L2 activities designed to engage learners in interesting discussions and projects, many of which rely on target language materials from the Internet.


Author(s):  
Lu Tian ◽  
Chunshen Zhu

This study defines translator training as a pedagogical scheme to help learners build up a knowledge network that should sustain their professional competence. It explores specifically how a computer-assisted mode of training may contribute to systemizing such a scheme with special reference to literary translation. The tool used for such training is Textwells, an online translation teaching and learning platform that weaves textual and translation-related concepts, phenomena, and methods as “knowledge nodes” into a network to support teaching and learning in different settings. As such, different from the traditional way of arranging a literary translation course according to the subgenres of literature, this approach, facilitated by the online platform, organizes the teaching contents along a series of knowledge nodes that are deemed fundamental to the production of a literary target text. In particular, this paper gives a detailed report about the course design and teaching procedures, using the rhetoric component as an illustrating case.


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