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PubMed2004

Intelligent software for laboratory automation.

The automation of laboratory techniques has greatly increased the number of experiments that can be carried out in the chemical and biological sciences. Until recently, this automation has focused primarily on improving hardware. Here we argue that future advances will concentrate on intelligent software to integrate physical experimentation and results analysis with hypothesis formulation and experiment planning. To illustrate our thesis, we describe the 'Robot Scientist' - the first physically implemented example of such a closed loop system. In the Robot Scientist, experimentation is performed by a laboratory robot, hypotheses concerning the results are generated by machine learning and experiments are allocated and selected by a combination of techniques derived from artificial intelligence research. The performance of the Robot Scientist has been evaluated by a rediscovery task based on yeast functional genomics. The Robot Scientist is proof that the integration of programmable laboratory hardware and intelligent software can be used to develop increasingly automated laboratories.

Algorithms↗

PubMed1988

An artificial intelligence approach to the study of the structural moieties relevant to drug-receptor interactions in aldose reductase inhibitors.

The computer-automated structure evaluation program has been used to study 482 compounds relevant to the inhibition of the aldose reductase enzyme. Major activating/inactivating fragments were generated automatically. The significance of these molecular descriptors with respect to the activity of the compounds is discussed.

Aldehyde Reductase↗

PubMed2026

Metabolic convergence of diabetes and prostate cancer: from dysglycemia to tumor microenvironment reprogramming.

The relationship between diabetes mellitus and prostate cancer (PC) represents one of the most intriguing paradoxes in cancer epidemiology, with diabetic individuals exhibiting a reduced incidence of PC yet poorer prognosis following diagnosis. This apparent contradiction underscores the need for an integrated understanding of how systemic metabolic dysfunction influences prostate carcinogenesis and disease progression. The present review critically synthesizes contemporary epidemiological, mechanistic, and translational evidence to establish metabolic convergence as a unifying framework linking diabetes-associated metabolic abnormalities with PC biology. Current evidence indicates that chronic dysglycemia, hyperinsulinemia, insulin resistance, and endocrine perturbations orchestrate interconnected intracellular signaling networks involving PI3K-AKT-mTOR, AMPK, AGE-RAGE signaling, oxidative stress, mitochondrial dysfunction, and epigenetic reprogramming, collectively driving metabolic adaptation and tumor evolution. Beyond tumor-intrinsic mechanisms, diabetes profoundly remodels the prostate tumor microenvironment through alterations in stromal metabolism, cancer-associated fibroblast activation, adipocyte-tumor crosstalk, extracellular matrix (ECM) remodeling, hypoxic adaptation, and vascular dysfunction, while simultaneously promoting immunometabolic reprogramming characterized by macrophage polarization, T-cell dysfunction, immune checkpoint activation, and immune evasion. The review further examines the bidirectional interactions between antidiabetic therapies and PC treatment, critically evaluating the translational potential of metformin and emerging glucose-lowering agents within the context of precision metabolic therapeutics. Finally, future directions encompassing biomarker-guided patient stratification, longitudinal metabolic profiling, multi-omics integration, artificial intelligence, and clinically relevant mechanistic validation are discussed as essential components of next-generation precision oncology. Collectively, this review reframes diabetes as an active metabolic determinant of PC rather than a coincidental comorbidity and highlights metabolism-centered precision strategies as promising avenues for improving risk stratification, therapeutic decision-making, and clinical outcomes in diabetes-associated PC.

Humans↗

PubMed2026

Precision Medicine in Transfusion-Dependent and Non-Transfusion-Dependent β-Thalassemia: Toward Personalized Diagnosis and Therapy.

β-thalassemia comprises a clinically heterogeneous group of disorders in which anemia severity, transfusion exposure, iron loading, and organ complications vary widely among individuals. This structured narrative review summarizes practical applications of precision medicine in transfusion-dependent thalassemia (TDT) and non-transfusion-dependent thalassemia (NTDT), with explicit attention to which strategies apply to each clinical category. Literature indexed in PubMed and Scopus from 2000 to 2025 was reviewed using terms related to thalassemia, precision medicine, magnetic resonance imaging (MRI), chelation tailoring, next-generation sequencing (NGS), fetal hemoglobin (HbF) modifiers, luspatercept, mitapivat, hepcidin, gene therapy, gene editing, and artificial intelligence (AI). Evidence was synthesized descriptively because interventions, outcomes, and populations were heterogeneous, and no pooled meta-analysis was performed. In TDT, precision care is centered on individualized transfusion planning, extended red-cell antigen matching, MRI-guided cardiac and hepatic iron monitoring, organ-directed chelation intensification, and selection of disease-modifying or curative approaches. In NTDT, precision care emphasizes accurate phenotype classification, MRI liver iron concentration, because serum ferritin may underestimate iron burden, selective chelation, surveillance for NTDT-specific complications, and individualized use of agents that improve anemia. Personalized chelation should include deferiprone, either alone or in combination, when cardiac iron is increased. Comprehensive molecular diagnosis should include HBB together with HBA1 and HBA2 assessment, while secondary and tertiary modifiers help explain phenotypic variability and complication risk. Hepcidin and growth differentiation factor 15 (GDF-15) are discussed as investigational biomarkers; transferrin saturation is not recommended for routine iron-overload assessment in thalassemia. AI currently has its strongest role in screening and diagnosis, whereas risk-stratification models remain exploratory. Equitable implementation requires standardized TDT/NTDT pathways, regional MRI and genomics access, longitudinal registries, and multidisciplinary interpretation.

Humans↗

PubMed2005

Evolutionary combinatorial chemistry, a novel tool for SAR studies on peptide transport across the blood-brain barrier. Part 2. Design, synthesis and evaluation of a first generation of peptides.

The use of high-throughput methods in drug discovery allows the generation and testing of a large number of compounds, but at the price of providing redundant information. Evolutionary combinatorial chemistry combines the selection and synthesis of biologically active compounds with artificial intelligence optimization methods, such as genetic algorithms (GA). Drug candidates for the treatment of central nervous system (CNS) disorders must overcome the blood-brain barrier (BBB). This paper reports a new genetic algorithm that searches for the optimal physicochemical properties for peptide transport across the blood-brain barrier. A first generation of peptides has been generated and synthesized. Due to the high content of N-methyl amino acids present in most of these peptides, their syntheses were especially challenging due to over-incorporations, deletions and DKP formations. Distinct fragmentation patterns during peptide cleavage have been identified. The first generation of peptides has been studied by evaluation techniques such as immobilized artificial membrane chromatography (IAMC), a cell-based assay, log Poctanol/water calculations, etc. Finally, a second generation has been proposed.

Algorithms↗

PubMed2004

Possible conflicts: a compilation technique for consistency-based diagnosis.

Consistency-based diagnosis is one of the most widely used approaches to model-based diagnosis within the artificial intelligence community. It is usually carried out through an iterative cycle of behavior prediction, conflict detection, candidate generation, and candidate refinement. In that process conflict detection has proven to be a nontrivial step from the theoretical point of view. For this reason, many approaches to consistency-based diagnosis have relied upon some kind of dependency-recording. These techniques have had different problems, specially when they were applied to diagnose dynamic systems. Recently, offline dependency compilation has established itself as a suitable alternative approach to online dependency-recording. In this paper we propose the possible conflict concept as a compilation technique for consistency-based diagnosis. Each possible conflict represents a subsystem within system description containing minimal analytical redundancy and being capable to become a conflict. Moreover, the whole set of possible conflicts can be computed offline with no model evaluation. Once we have formalized the possible conflict concept, we explain how possible conflicts can be used in the consistency-based diagnosis framework, and how this concept can be easily extended to diagnose dynamic systems. Finally, we analyze its relation to conflicts in the general diagnosis engine (GDE) framework and compare possible conflicts with other compilation techniques, especially with analytical redundancy relations (ARRs) obtained through structural analysis. Based on results from these comparisons we provide additional insights in the work carried out within the BRIDGE community to provide a common framework for model-based diagnosis for both artificial intelligence and control engineering approaches.

Algorithms↗

PubMed2005

Directed molecular evolution by machine learning and the influence of nonlinear interactions.

Alternative search strategies for the directed evolution of proteins are presented and compared with each other. In particular, two different machine learning strategies based on partial least-squares regression are developed: the first contains only linear terms that represent a given residue's independent contribution to fitness, the second contains additional nonlinear terms to account for potential epistatic coupling between residues. The nonlinear modeling strategy is further divided into two types, one that contains all possible nonlinear terms and another that makes use of a genetic algorithm to select a subset of important interaction terms. The performance of each modeling type as a function of training set size is analysed. Simulated molecular evolution on a synthetic protein landscape shows the use of machine learning techniques to guide library design can be a powerful addition to library generation methods such as DNA shuffling.

Algorithms↗

PubMedDate not supplied

Stability of generalized topographic mappings between cell layers through correlational learning.

We propose a simple topographic mapping formation model from a cell layer to a cell layer. Our model is a discrete one in that the state value of input and output cells takes 0 or 1 and input and output layers are represented by undirected graphs. A binary input pattern can be given to the network consisting of input and output cell layers. Such an input pattern can be represented by a subset of input cells. That is, a state value of an input cell takes 1 if a cell belongs to the subset, otherwise, a state value of an input cell is 0. Such a definition of an input pattern does not necessarily assume a short-range excitatory mechanism in an input layer. Thus, a topographic mapping described in this model is a map, which preserves the input pattern relation. By using the concept of input pattern separability, we showed an existence condition of certain learning rules, which are correlational. We have paid special attention to such correlational type learning rules, and have shown under the rules that topographic mappings are the only stable ones. As to the non-correlational learning rules, we also investigate the stability of generated mappings.

Algorithms↗

PubMed2004

Analysis and synthesis of textured motion: particles and waves.

Natural scenes contain a wide range of textured motion phenomena which are characterized by the movement of a large amount of particle and wave elements, such as falling snow, wavy water, and dancing grass. In this paper, we present a generative model for representing these motion patterns and study a Markov chain Monte Carlo algorithm for inferring the generative representation from observed video sequences. Our generative model consists of three components. The first is a photometric model which represents an image as a linear superposition of image bases selected from a generic and overcomplete dictionary. The dictionary contains Gabor and LoG bases for point/particle elements and Fourier bases for wave elements. These bases compete to explain the input images and transfer them to a token (base) representation with an O(10(2))-fold dimension reduction. The second component is a geometric model which groups spatially adjacent tokens (bases) and their motion trajectories into a number of moving elements--called "motons." A moton is a deformable template in time-space representing a moving element, such as a falling snowflake or a flying bird. The third component is a dynamic model which characterizes the motion of particles, waves, and their interactions. For example, the motion of particle objects floating in a river, such as leaves and balls, should be coupled with the motion of waves. The trajectories of these moving elements are represented by coupled Markov chains. The dynamic model also includes probabilistic representations for the birth/death (source/sink) of the motons. We adopt a stochastic gradient algorithm for learning and inference. Given an input video sequence, the algorithm iterates two steps: 1) computing the motons and their trajectories by a number of reversible Markov chain jumps, and 2) learning the parameters that govern the geometric deformations and motion dynamics. Novel video sequences are synthesized from the learned models and, by editing the model parameters, we demonstrate the controllability of the generative model.

Algorithms↗

PubMed1994

Pathophysiologic assessment of data from a stroke data bank.

Stroke data banks have been instrumental in helping us to clarify stroke etiology and in the investigation of clinical-topographic correlations. For these purposes they have relied upon results from noninvasive vascular and cardiac methods, including extra- and transcranial Doppler sonography and echocardiography, as well as from procedures such as cranial computed tomography and magnetic resonance imaging. Conventional database concepts have also been used to assess pathophysiologic aspects of stroke. Although such applications have made important contributions in this multidiscipline area of investigation, they are limited by a lack of explicit representation of pathophysiologic knowledge for data interpretation. Recent results from artificial intelligence research suggest exciting new frontiers for medical database design with concepts stemming from second generation expert systems. We propose an extended concept for stroke data banks to include a knowledge-based system which incorporates current patient data, heuristic knowledge relating clinical features to functional impairment, and pathophysiologic models of neurological disease.

Cerebrovascular Disorders↗

PubMed1995

Evolving mobile robots in simulated and real environments.

The problem of the validity of simulation is particularly relevant for methodologies that use machine learning techniques to develop control systems for autonomous robots, as, for instance, the artificial life approach known as evolutionary robotics. In fact, although it has been demonstrated that training or evolving robots in real environments is possible, the number of trials needed to test the system discourages the use of physical robots during the training period. By evolving neural controllers for a Khepera robot in computer simulations and then transferring the agents obtained to the real environment we show that (a) an accurate model of a particular robot-environment dynamics can be built by sampling the real world through the sensors and the actuators of the robot; (b) the performance gap between the obtained behaviors in simulated and real environments may be significantly reduced by introducing a "conservative" form of noise; (c) if a decrease in performance is observed when the system is transferred to a real environment, successful and robust results can be obtained by continuing the evolutionary process in the real environment for a few generations.

Algorithms↗

PubMedDate not supplied

Visual knowledge processing in computer-assisted radiology: a consultation system.

This paper presents Visual Heuristics, a consultation system for diagnosis based on thorax radiograph recording. Visual Heuristics uses both prototypical representations of physiological and pathological states and reasoning aimed to infer conclusions from pathological or physiological conditions, establishing correspondences between pathological or physiological states and semantic descriptions of images. Images are assembled with groups of descriptors that guide the recognition process, achieving the possibility of comparisons with real images on the basis of 'expected' images. The system may be employed to generate a dynamic atlas that does not contain proper images, but generates them.

Artificial Intelligence↗

PubMed1986

Computer-assisted design of studies using routine clinical data. Analyzing the association of prednisone and cholesterol.

To facilitate the analysis of routine, longitudinal, clinical data, we developed a computer program called the RX Study Module. Our prototype uses a small online knowledge base of medicine and biostatistics to help create and execute a detailed statistical study design. The program identifies possible confounding variables, selects methods for controlling them, creates a statistical model, determines patient eligibility criteria, and retrieves data from records. We used the program to examine the hypothesis that daily prednisone administration elevates serum cholesterol. Data from 49 patients with chronic rheumatologic disorders were analyzed from a database of 1787 patients. A regression model was fitted to each patient's record. Changes in cholesterol were significantly correlated (p = 10(-5)) with changes in prednisone after a lag of at least 1 week and after recorded confounders were controlled: delta cholesterol = 18.4 loge(prednisone). Routinely collected patient data may become an important resource for generating and studying new medical hypotheses.

Artificial Intelligence↗

PubMed2000

Data mining and structuring of executable data analysis reports: guideline development and implementation in a narrow sense.

In this paper we present a data mining scenario that supports development of automated web-based documentation of data analysis for diagnosis and treatment. The documents can be seen as guidelines in a narrow sense, and are designed to include executable modules for the corresponding decision support systems. Our aim is to discuss the possibilities of identifying certain types of diagnoses and treatments for which guidelines can be generated and computerised more systematically.

Artificial Intelligence↗

PubMed2004

Serum proteomic profiling can discriminate prostate cancer from benign prostates in men with total prostate specific antigen levels between 2.5 and 15.0 ng/ml.

PURPOSE: Artificial intelligence based pattern recognition algorithms have been developed and successfully used to analyze complex serum proteomic data streams generated by surface enhanced, laser desorption ionization time-of-flight mass spectroscopy. In the current study we used a high performance, hybrid quadrupole time-of-flight mass spectrometer to generate discriminatory serum proteomic profiles to determine if this technology could be used to determine the need for prostate biopsy in men with elevated prostate specific antigen (PSA). MATERIALS AND METHODS: Serum samples were collected from 154 men with serum PSA 2.5 to 15.0 ng/ml and/or abnormal digital rectal examination prior to transrectal ultrasound guided biopsy. Serum samples were applied to WCX2 (weak cation exchange protein chip) Protein Arrays (Ciphergen Biosystems, Fremont, California) by a Biomek 2000 robotic liquid handler (Beckman-Coulter, Chaska, Minnesota) and low molecular weight (less than 20 kDa) proteomic patterns were generated with an API QSTAR Pulsar i LC/MS/MS System (Applied Biosystems, Framingham, Massachusetts). High resolution mass spectra were analyzed with a pattern recognition bioinformatics tool, that is Proteome Quest beta version 1.0 (Correlogic Systems, Inc., Bethesda, Maryland), in an attempt to identify and discover key discriminating ion signatures. Serum samples from 63 men (2 or more negative prostate biopsies in 23, 1 negative biopsy in 10 and biopsy detected prostate cancer [CaP] in 30) were used to train the diagnostic algorithm. The remaining 91 samples, including 28 of prostate cancer and 63 of 1 or more negative biopsies, were analyzed in blinded fashion. RESULTS: The most discriminatory model was found using the WCX2 chip. Testing the remaining 91 men with this model yielded 100% sensitivity and 67% specificity. In other words, if the proteomic pattern had been used to determine the need for prostate biopsy in this cohort of men with PSA between 2.5 and 15.0 ng/ml, 67% (42 of 63) with negative biopsies would have avoided unnecessary biopsy, while no cancers would have been missed. CONCLUSIONS: Our data demonstrate that high resolution mass spectroscopy can generate serum proteomic patterns that discriminate men with elevated PSA due to benign processes from men with CaP even when PSA is within the diagnostic gray zone. We are currently expanding the testing set to determine the reliability of this new technology to decrease unnecessary prostate biopsies without compromising the detection of curable CaP.

Algorithms↗

PubMed2026

AI In Leukemia Diagnostics: Complementing the Pathologist's Role.

Artificial intelligence (AI) is reshaping every stage of leukemia diagnostics, from digital morphology and multiparameter flow cytometry to next-generation sequencing, multi-omics analysis, and emerging computational frontiers such as quantum-inspired feature selection. This review outlines how contemporary AI tools can automate labor-intensive quantitation, flag diagnostically salient patterns, and standardize interpretation, while the pathologist or hematologist retains authority over validation, context-specific integration, and clinical decision-making. We present an illustrative "human-in-the-loop" workflow that embeds AI modules within current laboratory information systems, emphasizing points where expert oversight mitigates algorithmic bias and resolves discordant findings. We further map the validator-integrator role across morphology, flow cytometry, and genomic/multi-omic interpretation and provide practical training competencies and use cases for AI-assisted hematopathology. Beyond technical deployment, the article addresses the educational transformation required for sustainable adoption. Drawing on international competency frameworks, including the Digital Health Competencies in Medical Education Framework and recently proposed AI-specific Entrustable Professional Activities, we map core skills that future hematopathologists must master: data-science literacy, critical appraisal of AI outputs, and ethical governance. We highlight evaluated training models such as the Pathology Informatics Essentials for Residents curriculum, Stanford Artificial Intelligence in Machine and Imaging workshops, and College of American Pathologists bootcamps and propose integration strategies adaptable across resource settings. By pairing rigorous validation with targeted education, AI can elevate rather than eclipse the diagnostic role of the leukemia specialist, enabling more timely, reproducible, and personalized patient care.

Humans↗

PubMed2027

Global Genomic Surveillance.

Global genomic surveillance has emerged as a foundational pillar of public health in the twenty-first century, enabling real-time tracking of pathogen evolution and informing outbreak response. This chapter examines the strategic architecture of global genomic surveillance, focusing on its application to arboviruses such as chikungunya virus (CHIKV). It explores the integration of genomic data with epidemiological, clinical, and environmental information within a One Health framework, while addressing critical challenges in governance, equity, and interoperability. The discussion covers the entire genomic surveillance workflow, from sample collection and sequencing to bioinformatic analysis and phylogenetic inference, and highlights the transformative role of artificial intelligence (AI) in predictive surveillance. By analyzing global initiatives, operational barriers, and emerging technologies, this chapter underscores the necessity of sustainable, equitable, and interoperable genomic systems to proactively address current and future infectious disease threats.

Humans↗

PubMed2026

Beyond data and technology: the need for new thinking to enable the era of precision prevention.

BACKGROUND: Global flagship initiatives increasingly advocate for proactive health maintenance to alleviate the growing burden on reactive, disease-focused healthcare systems. Precision prevention is conceived as the targeted modulation of causal pathways across the disease continuum, from latent risk and pre-disease states to clinical manifestation, surpassing conventional public health prevention strategies that prioritise managing population-level risk factors. Traditional discovery and implementation models, however, remain poorly aligned with the pace and breadth of scientific and technological advances. This review outlines key barriers to scaling precision prevention and argues for the integration of conceptual, methodological, and policy perspectives into a single implementation‑oriented framework. MAIN: Individualised risk stratification lies at the core of precision prevention. Genomics serves as a stable substrate for lifetime susceptibility assessment, while meaningful prediction in multifactorial chronic disease requires additional risk monitoring using dynamic intermediate molecular markers and high-resolution exposomic data. Machine learning and other artificial intelligence (AI) methods are increasingly helpful tools for integrating large, heterogeneous and temporally structured real-world data to generate personalised predictions of health trajectories. Trustworthy AI-enabled risk prediction or decision-support systems are expected to provide transparency about model logic, assumptions and performance. In discovery, existing diagnostic classifications and conventional case-control designs can obscure mechanistic heterogeneity. Shifting toward precision phenotyping and biologically grounded disease redefinition could reveal a new layer of molecular understanding. Evidence generation strategies that reflect the temporal change of disease, including high‑risk enrichment, surrogate endpoints, and adaptive, trajectory-based monitoring, are particularly important for common conditions with prolonged latency periods (e.g., cancer, cardiovascular disease). Features often dismissed as "noise", such as stochastic molecular variation and minimal exposures, may in fact encode meaningful individual-level signals and thus merit investigation. CONCLUSION: To shift healthcare from reactive treatment toward proactive health maintenance requires coordinated action from stakeholders to reshape the pillars of discovery, reform outcome assessments and modernise implementation strategies.

Humans↗