Everyday we are exposed to various chemicals via food additives, cleaning and cosmetic products and medicines -- and some of them might be toxic. However testing the toxicity of all existing compounds by biological experiments is neither financially nor logistically feasible. Therefore the government agencies NIH, EPA and FDA launched the Tox21 Data Challenge within the "Toxicology in the 21st Century" (Tox21) initiative. The goal of this challenge was to assess the performance of computational methods in predicting the toxicity of chemical compounds. State of the art toxicity prediction methods build upon specifically-designed chemical descriptors developed over decades. Though Deep Learning is new to the field and was never applied to toxicity prediction before, it clearly outperformed all other participating methods. In this application paper we show that deep nets automatically learn features resembling well-established toxicophores. In total, our Deep Learning approach won both of the panel-challenges (nuclear receptors and stress response) as well as the overall Grand Challenge, and thereby sets a new standard in tox prediction.

Since 2019 the FDA's crosscutting work has implemented artificial intelligence (AI) as part of the its New Era of Smarter Food Safety initiative. This new application of available data sources can strengthen the agency's public health mission with the goal using AI to improve capabilities to quickly and efficiently identify products that may pose a threat to public health by impeding their entry into the U.S. market. On February 8 the FDA reported the initiation of their succeeding phase for AI activity with the Imported Seafood Pilot program. Running from February 1 through July 31, 2021, the pilot will allow FDA to study and evaluate the utility of AI in support of import targeting, ultimately assisting with the implementation of an AI model to target high-risk seafood products--a critical strategy, as the United States imports nearly 94% of its seafood, according to the FDA. Where in the past, reliance on human intervention and/or trend analysis drove scrutiny of seafood shipments such as field exams, label exams or laboratory analysis of samples, with the use of AI technologies, FDA surveillance and regulatory efforts might be improved.

The use of artificial intelligence (AI) in life sciences, or "Life Tech", has increased at a rapid pace. According to World Intellectual Property Organization (WIPO), there has been "a shift from theoretical research to the use of AI technologies in commercial products and services," as reflected in the change in ratio of scientific papers to patent applications over the past decade.1 Indeed, while research into AI began in earnest in the 1950s, more than 1.6 million scientific papers have been published on AI, with more than half of identified AI inventions in the last six years alone.2,3 A review article in Nature Medicine reported last year that despite few peer-reviewed publications on use of machine learning technologies in medical devices, FDA approvals of AI as medical devices have been accelerating.4 Many of these FDA approvals relate to image analysis for diagnostic purposes, such as QuantX, the first AI platform to evaluate breast abnormalities; Aidoc, which detects acute intracranial hemorrhages in head CT scans, assisting radiologists to prioritize patient injuries; and IDx-DR, which analyzes retinal images to detect diabetic retinopathy.

Diabetes management is a difficult task for patients, who must monitor and control their blood glucose levels in order to avoid serious diabetic complications. It is a difficult task for physicians, who must manually interpret large volumes of blood glucose data to tailor therapy to the needs of each patient. This paper describes three emerging applications that employ AI to ease this task: (1) case-based decision support for diabetes management; (2) machine learning classification of blood glucose plots; and (3) support vector regression for blood glucose prediction. The first application provides decision support by detecting blood glucose control problems and recommending therapeutic adjustments to correct them. The second provides an automated screen for excessive glycemic variability. The third aims to build a hypoglycemia predictor that could alert patients to dangerously low blood glucose levels in time to take preventive action. All are products of the 4 Diabetes Support SystemTM project, which uses AI to promote the health and wellbeing of people with type 1 diabetes. These emerging applications could potentially benefit 20 million patients who are at risk for devastating complications, thereby improving quality of life and reducing health care cost expenditures.

Diabetes management is a difficult task for patients, who must monitor and control their blood glucose levels in order to avoid serious diabetic complications. It is a difficult task for physicians, who must manually interpret large volumes of blood glucose data to tailor therapy to the needs of each patient. This paper describes three emerging applications that employ AI to ease this task and shares difficulties encountered in transitioning AI technology from university researchers to patients and physicians.

We present a general framework of semi-supervised dimensionality reduction for manifold learning which naturally generalizes existing supervised and unsupervised learning frameworks which apply the spectral decomposition. Algorithms derived under our framework are able to employ both labeled and unlabeled examples and are able to handle complex problems where data form separate clusters of manifolds. Our framework offers simple views, explains relationships among existing frameworks and provides further extensions which can improve existing algorithms. Furthermore, a new semi-supervised kernelization framework called ``KPCA trick'' is proposed to handle non-linear problems.

We describe an AI system (CTSHIV) that connects the scientific AIDS literature describing specific human immunodeficiency virus (HIV) drug resistances directly to the customized treatment strategy of a specific HIV patient. Rules in the CTSHIV knowledge base encode knowledge about sequence mutations in the HIV genome that have been found to result in drug resistance to the HIV virus. Rules are applied to the actual HIV sequences of the virus strains infecting the specific patient undergoing clinical treatment to infer current drug resistance. A rule-directed search through mutation sequence space identifies nearby drug-resistant mutant strains that might arise. The possible combination drug-treatment regimens currently approved by the U.S. Food and Drug Administration are considered and ranked by their estimated ability to avoid identified current and nearby drug-resistant mutants. The highest-ranked treatments are recommended to the attending physician. The result is more precise treatment of individual HIV patients and a decreased tendency to select for drug-resistant genes in the global HIV gene pool. Initial results from a small human clinical trial are encouraging, and further clinical trials are planned. From an AI viewpoint, the case study demonstrates the extensibility of knowledge-based systems because it illustrates how existing encoded knowledge can be used to support new knowledge-based applications that were unanticipated when the original knowledge was encoded.

Artificial Intelligence is rapidly leaving its academic home and moving into the marketplace. There are few precedents for an arcane academic subject becoming commercialized so rapidly. But, genetic engineering, which recently burst forth from academia to become the foundation for the hot new biotechnology industry, provides useful insights into the rites of passage awaiting the commercialization of artificial intelligence. This article examines the structural similarities and dissimilarities in the two subjects and briefly summarizes the history of the commercialization of genetic engineering. It then proposes some lessons that would benefit the artificial intelligence industry.