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Integration of computational data science (CDS) into the university curriculum offers several advantages for students, faculty and the institution. This article discusses the benefits to students of introducing CDS into the university curriculum with a focus on developing skills in cheminformatics, data analysis, structure--activity relationships, modelling and simulation. Moreover, CDS can enable students to engage with complex chemical and toxicological data in new and dynamic ways, helping them to develop a more nuanced understanding of the potential hazards and risks associated with different chemicals and substances. On the other hand, it can foster greater collaboration between students and faculty and with external partners in industry and government. This can lead to the development of more effective and efficient toxicological testing methods and tools to screen chemicals for potential hazards and aid the development of environmentally friendly chemicals. Overall, the integration of CDS into the university curriculum will help prepare the next generation of scientists giving them a competitive edge to make considerable contributions to green chemistry, designing safer chemicals and non-animal testing methods. It will enable them to tackle modern challenges facing society including identifying safer and more sustainable chemicals and predicting the health and environmental impacts of novel chemical substances.

Andrew Lemon reviews the 225th national meeting of the American Chemical Society held in New Orleans, USA between the 23rd and 27th March 2003.

There has been increased pressure over the last few years to design and synthesize chemical libraries that are more 'drug-like' in character. This review discusses what 'drug-like' is assumed to be, then examines recent developments in the prediction of 'drug-likeness'. It is noted that, while many methods allow a scientist to identify 'non-drug-like' molecules with a reasonable degree of certainty, a need still exists for physically meaningful descriptors that allow a chemist to design in 'drug-likeness', rather than relying on a computer to screen out unsuitable compounds.

The toxicology of synthetic chemicals is compared to that of natural chemicals, which represent the vast bulk of the chemicals to which humans are exposed. It is argued that animals have a broad array of inducible general defenses to combat the changing array of toxic chemicals in plant food (nature's pesticides) and that these defenses are effective against both natural and synthetic toxins. Synthetic toxins such as dioxin are compared to natural chemicals, such as indole carbinol (in broccoli) and ethanol. Trade-offs between synthetic and natural pesticides are discussed. The finding that in high-dose tests, a high proportion of both natural and synthetic chemicals are carcinogens, mutagens, teratogens, and clastogens (30-50% for each group) undermines current regulatory efforts to protect public health from synthetic chemicals based on these tests.

We designed a collaborative course-based undergraduate research experience (CURE) between an Analytical Chemistry course and an Environmental Toxicology course to engage students in a research project that cannot rely on one discipline alone. This study reports on 47 students' self-reported experiences with the course outcomes and their opinions of the CURE project. Students in both courses increased their levels of experience in skills related to the CURE project, including their ability to design a project where the outcome was unknown. Further, most students felt a sense of project ownership, but their ownership was attributed only to the positive aspects of the CURE. At the end of the CURE, the students in both classes demonstrated the ability to connect ideas and techniques learned in the course to a broader environmental research question. We also suggest several tips for developing collaborative CUREs in undergraduate courses.

A team of six children (13-14 years old) developed and conducted an experiment to assess the behaviour of the planarian flatworm, an invertebrate animal model, before, during and after exposure to chemicals. The aim of the project was to engage children in pharmacology and toxicology research. First, the concept that exposure to chemicals can affect our nervous systems and alter our behaviour was introduced by the scientist. Then pupils were asked to conduct independent online research on chemicals we consume and used this information to select chemicals of interest. Caffeine and the artificial sweetener aspartame were chosen. As aspartame is broken down in the body, the aspartame metabolites phenylalanine, methanol and aspartic acid were also tested. Pupils assessed flatworm behaviour and determined that phenylalanine and methanol altered behaviour. The experiment demonstrated that chemicals can affect the nervous system and can be used in classrooms to illustrate that chemicals, such as recreational drugs, can alter behaviour. Students found the experiential nature of the programme valuable, appreciated the active components and considered the scientist as an "expert". This partnership contributes to academic knowledge in children and provides insight into teaching and raises awareness of the curriculum as a tool of social change.

Documents relevant to the health and safety of the worker or consumer exposed to chemicals or radiation extend over the entire range of the chemical disciplines, and therefore pertinent information can appear throughout the Chemical Abstracts Service information systems. Access routes to such information in both CAS printed publications and computer-readable services are discussed. In the weekly issues of Chemical Abstracts, health and safety information can be accessed through the natural-language Keyword Index. Retrieval of pertinent information through the controlled headings of the CA Volume Indexes in conjunction with the Index Guide is also discussed. CA Selects, a set of current-awareness publications, is described as it pertains to the specialized areas of health and safety.

Isolation and purification procedures are given for the new antitumor agent, alpha sarcin. These procedures include the use of column ion exchange with a carboxylic resin (Amberlite IRC50), dialysis, decolorization with activated charcoal, gradient salt chromatography, salt removal, and drying from the frozen state. The final product has an activity of 800 sarcoma 180 mouse dilution units per mg. The amino acid composition of the purified material is reported. All of the usual amino acids found in proteins were present except methionine. In addition to the usual amino acids, an unknown amino acid was present in the acid hydrolysate. The latter was isolated, and was found to yield phenylalanine and kynurenine. This compound, which has been named "sarcinine," is extremely stable in 6 n hydrochloric acid in the absence of air, and is unstable in alkali. Sarcinine has also been found in two other antitumor peptides produced by aspergilli, and so may relate significantly to the antitumor properties of these peptides.