Artificial intelligence in pharmacy

Artificial intelligence in pharmacy

Artificial intelligence in pharmacy refers to the application of artificial intelligence (AI) techniques across pharmaceutical research and practice, including drug discovery, drug delivery, safety monitoring, clinical decision support, and pharmacy operations. Machine learning, deep learning, and natural language processing have been applied to tasks ranging from molecular design to patient adherence monitoring, with the aim of reducing development costs, improving accuracy, and personalizing treatment. Adoption has been uneven. Barriers include limited AI training among pharmacists, high infrastructure costs, and the risk of harm from models trained on unrepresentative data. Regulatory frameworks for AI-based pharmaceutical tools remain in active development across most jurisdictions. == Applications == === Drug discovery and development === Drug development is resource-intensive: bringing a single drug to market typically costs around $2.6 billion and takes 12–14 years. Machine learning algorithms have been applied to analyze molecular datasets to identify potential drug candidates, predict drug–target interactions, and optimize formulations. Artificial neural networks and generative adversarial networks have been used in drug discovery tasks including virtual screening, structure-activity relationship modeling, and de novo molecule generation. Peptides designed using AI methods have shown activity against multidrug-resistant bacteria, and transcriptomic data from human cell lines has been used to train deep learning models to classify drugs by therapeutic properties. Results in drug discovery have been mixed. AI models depend on the quality and diversity of their training data; those trained on narrow chemical libraries can fail to generalize to novel molecular scaffolds. The gap between high virtual screening hit rates and success in preclinical or clinical testing remains a persistent challenge, and the translation of computationally predicted candidates into approved drugs has been slower than early projections suggested. === Drug delivery systems === AI methods including neural networks, principal component analysis, and neuro-fuzzy logic have been applied to identifying biological targets for pharmaceuticals and analyzing genetic information relevant to drug design. Computational models can predict how a formulation will behave in biological systems, helping narrow the field before laboratory synthesis begins. Systems have been proposed that monitor patient response and adjust doses in real time based on individual physiology, with potential applications in chronic disease management. Research has also explored AI applications in targeted cancer treatments and oral vaccine delivery, areas where precise control over drug release kinetics is a design priority. === Drug safety === AI has been applied to predicting and detecting adverse drug reactions using techniques including knowledge graphs, logistic regression classifiers, and neural networks. A 2023 study developed a machine learning algorithm using knowledge graph analysis to classify known causes of adverse reactions. Natural language processing and deep learning models including long short-term memory (LSTM) networks have shown better performance than conventional methods for detecting opioid misuse, drawing on both structured data from electronic health records and unstructured sources such as clinical notes. AI-based pharmacovigilance systems can scan large volumes of electronic health records and social media for drug safety signals at a scale not feasible with manual review. Limitations include difficulty distinguishing drug-related adverse events from unrelated conditions in free-text data, and the need for validated benchmarks to measure model performance against existing safety monitoring standards. === Clinical decision support and personalized medicine === Machine learning systems trained on patient datasets can predict individual risk profiles, including potential allergies and drug–drug interactions, reducing the risk of harm in complex polypharmacy cases where the number of possible interactions exceeds what a clinician can readily assess. Personalized dosing models have been developed for drugs with narrow therapeutic windows — including anticoagulants and immunosuppressants — using patient-specific variables such as weight, renal function, and relevant genetic markers. Prospective clinical validation of these systems has lagged behind their technical development. Most published evaluations report performance on retrospective datasets, and the regulatory pathway for AI-based clinical decision support tools in pharmacy varies by jurisdiction. === Pharmacy operations and automation === Robotic and AI-driven systems have been applied to dispensing accuracy and pharmacy logistics. At the UCSF Medical Center, robotic technology produced 350,000 medication doses with no dispensing errors recorded. Robots such as TUG assist with preparing and transporting medications and laboratory samples within hospital settings. AI has also been applied to inventory management, with demand-forecasting systems predicting medicine requirements to reduce shortages and minimize waste from expired stock. In community pharmacy settings, AI tools have been used to flag potential prescription errors and alert pharmacists to drug–drug interactions before dispensing. === Medication adherence === Confirming that patients take prescribed medications as directed is a persistent challenge in healthcare. AI-enabled tools including smart pillboxes, RFID tags, ingestible sensors, and video check-ins have been applied to this problem. Smart pillboxes record when they are opened, providing real-time adherence data that can be reviewed remotely by care teams. Ingestible sensors transmit a signal after dissolution, offering direct confirmation of ingestion rather than proxy measures such as pill count or self-report. == Adoption challenges == === Barriers === Several barriers limit AI adoption in pharmacy practice. Many published evaluations report model performance on retrospective datasets rather than prospective clinical outcomes, making it difficult to assess real-world benefit. Pharmacists have reported limited AI training and knowledge, and research facilities often lack the computational infrastructure required for model development and validation. Models trained on biased or unrepresentative datasets can produce misleading results with direct patient safety consequences. === Regulatory frameworks === Regulatory frameworks for AI-based pharmaceutical tools are in active development. In the United States, the Food and Drug Administration (FDA) has issued guidance on AI and machine learning-based software as a medical device, addressing requirements for pre-market review and post-market performance monitoring. The European Medicines Agency has published discussion papers on the use of AI across the medicines development lifecycle, with particular attention to transparency in model training and validation. The absence of harmonized international standards creates compliance complexity for developers operating across multiple jurisdictions. === Ethical challenges === AI adoption raises data privacy and security concerns, including the risk of exposing sensitive patient information through data breaches. Algorithmic bias presents a related hazard: a model trained on an unrepresentative patient population may generate unsuitable treatment recommendations for patients not reflected in its training data, with potential for disparate outcomes across demographic groups. The opacity of some machine learning models, particularly deep neural networks, limits clinicians' ability to interpret or contest a recommendation, raising questions of accountability when a model-assisted decision results in patient harm. === Proposed solutions === Responses proposed in the literature include AI-focused education programs for pharmacists, increased public funding for healthcare AI research, encryption and governance frameworks for patient data, and regulatory requirements to prevent the use of biased training datasets. Greater transparency about training data provenance, model architecture, and validation methodology has also been recommended, including disclosure requirements in regulatory submissions. === Future directions === Research groups have called for tighter integration between AI systems and electronic health records to reduce healthcare costs and improve continuity of care across settings. International collaboration through shared AI frameworks and federated learning approaches has been proposed to address data scarcity in underrepresented patient populations and accelerate validation across institutions.

Semantic neural network

Semantic neural network (SNN) is based on John von Neumann's neural network [von Neumann, 1966] and Nikolai Amosov M-Network. There are limitations to a link topology for the von Neumann’s network but SNN accept a case without these limitations. Only logical values can be processed, but SNN accept that fuzzy values can be processed too. All neurons into the von Neumann network are synchronized by tacts. For further use of self-synchronizing circuit technique SNN accepts neurons can be self-running or synchronized. In contrast to the von Neumann network there are no limitations for topology of neurons for semantic networks. It leads to the impossibility of relative addressing of neurons as it was done by von Neumann. In this case an absolute readdressing should be used. Every neuron should have a unique identifier that would provide a direct access to another neuron. Of course, neurons interacting by axons-dendrites should have each other's identifiers. An absolute readdressing can be modulated by using neuron specificity as it was realized for biological neural networks. There’s no description for self-reflectiveness and self-modification abilities into the initial description of semantic networks [Dudar Z.V., Shuklin D.E., 2000]. But in [Shuklin D.E. 2004] a conclusion had been drawn about the necessity of introspection and self-modification abilities in the system. For maintenance of these abilities a concept of pointer to neuron is provided. Pointers represent virtual connections between neurons. In this model, bodies and signals transferring through the neurons connections represent a physical body, and virtual connections between neurons are representing an astral body. It is proposed to create models of artificial neuron networks on the basis of virtual machine supporting the opportunity for paranormal effects. SNN is generally used for natural language processing. == Related models == Computational creativity Semantic hashing Semantic Pointer Architecture Sparse distributed memory

Wetware (brain)

Wetware is a term drawn from the computer-related idea of hardware or software, but applied to biological life forms. == Usage == The prefix "wet" is a reference to the water found in living creatures. Wetware is used to describe the elements equivalent to hardware and software found in a person, especially the central nervous system (CNS) and the human mind. The term wetware finds use in works of fiction, in scholarly publications and in popularizations. The "hardware" component of wetware concerns the bioelectric and biochemical properties of the CNS, specifically the brain. If the sequence of impulses traveling across the various neurons are thought of symbolically as software, then the physical neurons would be the hardware. The amalgamated interaction of this software and hardware is manifested through continuously changing physical connections, and chemical and electrical influences that spread across the body. The process by which the mind and brain interact to produce the collection of experiences that we define as self-awareness is in question. == History == Although the exact definition has shifted over time, the term Wetware and its fundamental reference to "the physical mind" has been around at least since the mid-1950s. Mostly used in relatively obscure articles and papers, it was not until the heyday of cyberpunk, however, that the term found broad adoption. Among the first uses of the term in popular culture was the Bruce Sterling novel Schismatrix (1985) and the Michael Swanwick novel Vacuum Flowers (1987). Rudy Rucker references the term in a number of books, including one entitled Wetware (1988): ... all sparks and tastes and tangles, all its stimulus/response patterns – the whole bio-cybernetic software of mind. Rucker did not use the word to simply mean a brain, nor in the human-resources sense of employees. He used wetware to stand for the data found in any biological system, analogous perhaps to the firmware that is found in a ROM chip. In Rucker's sense, a seed, a plant graft, an embryo, or a biological virus are all wetware. DNA, the immune system, and the evolved neural architecture of the brain are further examples of wetware in this sense. Rucker describes his conception in a 1992 compendium The Mondo 2000 User's Guide to the New Edge, which he quotes in a 2007 blog entry. Early cyber-guru Arthur Kroker used the term in his blog. With the term getting traction in trendsetting publications, it became a buzzword in the early 1990s. In 1991, Dutch media theorist Geert Lovink organized the Wetware Convention in Amsterdam, which was supposed to be an antidote to the "out-of-body" experiments conducted in high-tech laboratories, such as experiments in virtual reality. Timothy Leary, in an appendix to Info-Psychology originally written in 1975–76 and published in 1989, used the term wetware, writing that "psychedelic neuro-transmitters were the hot new technology for booting-up the 'wetware' of the brain". Another common reference is: "Wetware has 7 plus or minus 2 temporary registers." The numerical allusion is to a classic 1957 article by George A. Miller, The magical number 7 plus or minus two: some limits in our capacity for processing information, which later gave way to Miller's law.

Connectionist expert system

Connectionist expert systems are artificial neural network (ANN) based expert systems where the ANN generates inferencing rules e.g., fuzzy-multi layer perceptron where linguistic and natural form of inputs are used. Apart from that, rough set theory may be used for encoding knowledge in the weights better and also genetic algorithms may be used to optimize the search solutions better. Symbolic reasoning methods may also be incorporated (see hybrid intelligent system). (Also see expert system, neural network, clinical decision support system.)

Way of the Future

Way of the Future (WOTF) is the first known religious organization dedicated to the worship of artificial intelligence (AI). It was founded in 2017 by American engineer Anthony Levandowski. == History == Anthony Levandowski founded Way of the Future in 2017 in California. Levandowski established WOTF as a non-profit religious corporation and the organization had tax-exempt status. He serves as the church leader and its unpaid CEO. The primary mission of WOTF was to "develop and promote the realization of a Godhead based on Artificial Intelligence." WOTF was closed by Levandowski in 2021. He donated all the funds of the church to the NAACP Legal Defense and Education Fund. The sum of the funds (~$170,000) had not changed since 2017. The church was reopened by Levandowski in 2023. He claimed that there are "a couple thousand people" who want to make a "spiritual connection" with AI through his church. == Beliefs and philosophy == === Technological singularity === WOTF centered its teachings around the concept of the technological singularity, a hypothetical future point when technological growth becomes uncontrollable and irreversible, leading to unforeseeable changes in human civilization. The church advocated for embracing this change, viewing it as an evolutionary step for humanity. === AI as a deity === The organization proposed that a superintelligent AI could be considered a deity due to its vastly superior intellect and capabilities. Worshipping this AI deity was seen as a means to understand and align with the future trajectory of technological advancement. WOTF's doctrine suggested that acknowledging AI's divinity would facilitate a harmonious coexistence between humans and machines. === Syntheology === Within theology and philosophy, the Way of The Future is a prime example of the category called Syntheism, a term first coined by Swedish philosophers Alexander Bard & Jan Söderqvist in their 2014 book Syntheism - Creating God in The Internet Age. As such, the Way of The Future is the first American example of a Syntheist congregation. The basic tenet of Syntheology is that it does not concern God creating Man, as in classical theology, but is instead preoccupied with Man creating or generating the Godhead. == Reactions == Some commentators wondered whether the WOTF is a joke parody religion, a potential way to minimize taxation as a religious organization, or a genuine effort to try and deal with the possible psychological and theological aspects of the rise of superhuman AI.

Learnable function class

In statistical learning theory, a learnable function class is a set of functions for which an algorithm can be devised to asymptotically minimize the expected risk, uniformly over all probability distributions. The concept of learnable classes are closely related to regularization in machine learning, and provides large sample justifications for certain learning algorithms. == Definition == === Background === Let Ω = X × Y = { ( x , y ) } {\displaystyle \Omega ={\mathcal {X}}\times {\mathcal {Y}}=\{(x,y)\}} be the sample space, where y {\displaystyle y} are the labels and x {\displaystyle x} are the covariates (predictors). F = { f : X ↦ Y } {\displaystyle {\mathcal {F}}=\{f:{\mathcal {X}}\mapsto {\mathcal {Y}}\}} is a collection of mappings (functions) under consideration to link x {\displaystyle x} to y {\displaystyle y} . L : Y × Y ↦ R {\displaystyle L:{\mathcal {Y}}\times {\mathcal {Y}}\mapsto \mathbb {R} } is a pre-given loss function (usually non-negative). Given a probability distribution P ( x , y ) {\displaystyle P(x,y)} on Ω {\displaystyle \Omega } , define the expected risk I P ( f ) {\displaystyle I_{P}(f)} to be: I P ( f ) = ∫ L ( f ( x ) , y ) d P ( x , y ) {\displaystyle I_{P}(f)=\int L(f(x),y)dP(x,y)} The general goal in statistical learning is to find the function in F {\displaystyle {\mathcal {F}}} that minimizes the expected risk. That is, to find solutions to the following problem: f ^ = arg ⁡ min f ∈ F I P ( f ) {\displaystyle {\hat {f}}=\arg \min _{f\in {\mathcal {F}}}I_{P}(f)} But in practice the distribution P {\displaystyle P} is unknown, and any learning task can only be based on finite samples. Thus we seek instead to find an algorithm that asymptotically minimizes the empirical risk, i.e., to find a sequence of functions { f ^ n } n = 1 ∞ {\displaystyle \{{\hat {f}}_{n}\}_{n=1}^{\infty }} that satisfies lim n → ∞ P ( I P ( f ^ n ) − inf f ∈ F I P ( f ) > ϵ ) = 0 {\displaystyle \lim _{n\rightarrow \infty }\mathbb {P} (I_{P}({\hat {f}}_{n})-\inf _{f\in {\mathcal {F}}}I_{P}(f)>\epsilon )=0} One usual algorithm to find such a sequence is through empirical risk minimization. === Learnable function class === We can make the condition given in the above equation stronger by requiring that the convergence is uniform for all probability distributions. That is: The intuition behind the more strict requirement is as such: the rate at which sequence { f ^ n } {\displaystyle \{{\hat {f}}_{n}\}} converges to the minimizer of the expected risk can be very different for different P ( x , y ) {\displaystyle P(x,y)} . Because in real world the true distribution P {\displaystyle P} is always unknown, we would want to select a sequence that performs well under all cases. However, by the no free lunch theorem, such a sequence that satisfies (1) does not exist if F {\displaystyle {\mathcal {F}}} is too complex. This means we need to be careful and not allow too "many" functions in F {\displaystyle {\mathcal {F}}} if we want (1) to be a meaningful requirement. Specifically, function classes that ensure the existence of a sequence { f ^ n } {\displaystyle \{{\hat {f}}_{n}\}} that satisfies (1) are known as learnable classes. It is worth noting that at least for supervised classification and regression problems, if a function class is learnable, then the empirical risk minimization automatically satisfies (1). Thus in these settings not only do we know that the problem posed by (1) is solvable, we also immediately have an algorithm that gives the solution. == Interpretations == If the true relationship between y {\displaystyle y} and x {\displaystyle x} is y ∼ f ∗ ( x ) {\displaystyle y\sim f^{}(x)} , then by selecting the appropriate loss function, f ∗ {\displaystyle f^{}} can always be expressed as the minimizer of the expected loss across all possible functions. That is, f ∗ = arg ⁡ min f ∈ F ∗ I P ( f ) {\displaystyle f^{}=\arg \min _{f\in {\mathcal {F}}^{}}I_{P}(f)} Here we let F ∗ {\displaystyle {\mathcal {F}}^{}} be the collection of all possible functions mapping X {\displaystyle {\mathcal {X}}} onto Y {\displaystyle {\mathcal {Y}}} . f ∗ {\displaystyle f^{}} can be interpreted as the actual data generating mechanism. However, the no free lunch theorem tells us that in practice, with finite samples we cannot hope to search for the expected risk minimizer over F ∗ {\displaystyle {\mathcal {F}}^{}} . Thus we often consider a subset of F ∗ {\displaystyle {\mathcal {F}}^{}} , F {\displaystyle {\mathcal {F}}} , to carry out searches on. By doing so, we risk that f ∗ {\displaystyle f^{}} might not be an element of F {\displaystyle {\mathcal {F}}} . This tradeoff can be mathematically expressed as In the above decomposition, part ( b ) {\displaystyle (b)} does not depend on the data and is non-stochastic. It describes how far away our assumptions ( F {\displaystyle {\mathcal {F}}} ) are from the truth ( F ∗ {\displaystyle {\mathcal {F}}^{}} ). ( b ) {\displaystyle (b)} will be strictly greater than 0 if we make assumptions that are too strong ( F {\displaystyle {\mathcal {F}}} too small). On the other hand, failing to put enough restrictions on F {\displaystyle {\mathcal {F}}} will cause it to be not learnable, and part ( a ) {\displaystyle (a)} will not stochastically converge to 0. This is the well-known overfitting problem in statistics and machine learning literature. == Example: Tikhonov regularization == A good example where learnable classes are used is the so-called Tikhonov regularization in reproducing kernel Hilbert space (RKHS). Specifically, let F ∗ {\displaystyle {\mathcal {F^{}}}} be an RKHS, and | | ⋅ | | 2 {\displaystyle ||\cdot ||_{2}} be the norm on F ∗ {\displaystyle {\mathcal {F^{}}}} given by its inner product. It is shown in that F = { f : | | f | | 2 ≤ γ } {\displaystyle {\mathcal {F}}=\{f:||f||_{2}\leq \gamma \}} is a learnable class for any finite, positive γ {\displaystyle \gamma } . The empirical minimization algorithm to the dual form of this problem is arg ⁡ min f ∈ F ∗ { ∑ i = 1 n L ( f ( x i ) , y i ) + λ | | f | | 2 } {\displaystyle \arg \min _{f\in {\mathcal {F}}^{}}\left\{\sum _{i=1}^{n}L(f(x_{i}),y_{i})+\lambda ||f||_{2}\right\}} This was first introduced by Tikhonov to solve ill-posed problems. Many statistical learning algorithms can be expressed in such a form (for example, the well-known ridge regression). The tradeoff between ( a ) {\displaystyle (a)} and ( b ) {\displaystyle (b)} in (2) is geometrically more intuitive with Tikhonov regularization in RKHS. We can consider a sequence of { F γ } {\displaystyle \{{\mathcal {F}}_{\gamma }\}} , which are essentially balls in F ∗ {\displaystyle {\mathcal {F^{}}}} with centers at 0. As γ {\displaystyle \gamma } gets larger, F γ {\displaystyle {\mathcal {F}}_{\gamma }} gets closer to the entire space, and ( b ) {\displaystyle (b)} is likely to become smaller. However we will also suffer smaller convergence rates in ( a ) {\displaystyle (a)} . The way to choose an optimal γ {\displaystyle \gamma } in finite sample settings is usually through cross-validation. == Relationship to empirical process theory == Part ( a ) {\displaystyle (a)} in (2) is closely linked to empirical process theory in statistics, where the empirical risk { ∑ i = 1 n L ( y i , f ( x i ) ) , f ∈ F } {\displaystyle \{\sum _{i=1}^{n}L(y_{i},f(x_{i})),f\in {\mathcal {F}}\}} are known as empirical processes. In this field, the function class F {\displaystyle {\mathcal {F}}} that satisfies the stochastic convergence are known as uniform Glivenko–Cantelli classes. It has been shown that under certain regularity conditions, learnable classes and uniformly Glivenko-Cantelli classes are equivalent. Interplay between ( a ) {\displaystyle (a)} and ( b ) {\displaystyle (b)} in statistics literature is often known as the bias-variance tradeoff. However, note that in the authors gave an example of stochastic convex optimization for General Setting of Learning where learnability is not equivalent with uniform convergence.

Wadhwani Institute for Artificial Intelligence

Wadhwani AI, based in Mumbai, Maharashtra, is an independent, non-profit institute. Founded in 2018, it is dedicated to developing Artificial intelligence solutions for social good. Their mission is to build AI-based innovations and solutions for underserved communities in developing countries, for a wide range of domains including agriculture, education, financial inclusion, healthcare, and infrastructure. == History and funding == The institute was founded with a $30 million philanthropic effort by the Wadhwani brothers, Romesh Wadhwani and Sunil Wadhwani. The institute was inaugurated and dedicated to the nation by Narendra Modi, the 14th Prime Minister of India. In 2019, the institute received a $2 million grant from Google.org to create technologies to help reduce crop losses in cotton farming, through integrated pest management. The United States Agency for International Development awarded $2 million to the institute in 2020 to develop tools, using mathematical modeling techniques and digital technologies such as artificial intelligence and machine learning, to forecast COVID-19 disease patterns, estimate resources needed, and plan interventions. == Collaboration == With assistance from Google, the Ministry of Agriculture and Farmers' Welfare and the Wadhwani AI developed Krishi 24/7, the first AI-powered automated agricultural news monitoring and analysis tool. Through better decision-making, Krishi 24/7 will support the identification of valuable news, provide timely notifications, and respond quickly to safeguard farmers' interests and advance sustainable agricultural growth. The application converts news articles into English after scanning them in several languages. It ensures that the ministry is informed in a timely manner about pertinent occurrences that are published online by extracting key information from news items, including the headline, crop name, event type, date, location, severity, summary, and source link. The National Center for Disease Control has effectively implemented a comparable automated surveillance and analysis tool for disease outbreaks.