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Global climate change has reduced crop resilience and pesticide efficacy, making reliance on synthetic pesticides inevitable, even though their widespread use poses significant health and environmental risks. While these pesticides remain a key tool in pest management, previous machine-learning applications in pesticide and agriculture have focused on classification or regression, leaving the fundamental challenge of generating new molecular structures or designing novel candidates unaddressed. In this paper, we propose Pesti-Gen, a novel generative model based on variational auto-encoders, designed to create pesticide candidates with optimized properties for the first time. Specifically, Pesti-Gen leverages a two-stage learning process: an initial pre-training phase that captures a generalized chemical structure representation, followed by a fine-tuning stage that incorporates toxicity-specific information. The model simultaneously optimizes over multiple toxicity metrics, such as (1) livestock toxicity and (2) aqua toxicity to generate environmentally friendly pesticide candidates. Notably, Pesti-Gen achieves approximately 68\% structural validity in generating new molecular stru

The use of pesticides for enhancing crop yield and preventing infestations is a widespread agricultural practice. However, in recent years, there has been a growing shift toward traditional chemical-free organic farming. Regulatory frameworks impose specific distance requirements between organic farms and neighboring lands where chemical pesticides are used to minimize cross-contamination. In this work, we numerically analyze the spread of pesticide droplets to adjacent fields under varying weather conditions, providing a systematic analysis that highlights conditions where existing guidelines might require reassessment. We employ the formalism of the Langevin equations to model the diffusion of pesticide particles and their transport due to wind and other environmental factors. Assuming a non-relativistic, classical diffusion framework, we track the dispersion of commonly used pesticides to assess their potential contamination range. We present our key findings, discuss their implications, and, toward the end, outline possible directions for future research.

This research focuses on rational pesticide design, using graph machine learning to accelerate the development of safer, eco-friendly agrochemicals, inspired by in silico methods in drug discovery. With an emphasis on ecotoxicology, the initial contributions include the creation of ApisTox, the largest curated dataset on pesticide toxicity to honey bees. We conducted a broad evaluation of machine learning (ML) models for molecular graph classification, including molecular fingerprints, graph kernels, GNNs, and pretrained transformers. The results show that methods successful in medicinal chemistry often fail to generalize to agrochemicals, underscoring the need for domain-specific models and benchmarks. Future work will focus on developing a comprehensive benchmarking suite and designing ML models tailored to the unique challenges of pesticide discovery.

The increase in global pesticide use has mirrored the rising demand for food over the last decades, resulting in a boost in crop yields. However, concerns about the impact of pesticides on biodiversity, ecosystems, and human health, especially for populations residing close to cultivated areas, are growing. This study investigates how exposure and possible risks to residents can be estimated at high spatial granularity based on plant protection product data. The complexities of such analysis were explored in France, where relevant data with good granularity are publicly available. Integrating sets of spatial datasets and exposure assessment methodologies, we have developed an indicator to monitor the levels of pesticide risk faced by residents. By spatialising pesticide sales data according to their authorization on specific crops, we developed a detailed map depicting potential pesticide loads at parcel level across France. This spatial distribution served as the basis for an exposure and risk assessment, modelled following the European Food Safety Authority's guidelines. Combining the risk map with population distribution data, we have developed an indicator that allows to monito

Pesticides are important agricultural inputs to increase agricultural productivity and improve food security. The availability of pesticides is partially achieved through international trade. However, economies involved in the international trade of pesticides are impacted by internal and external shocks from time to time, which influence the redistribution efficiency of pesticides all over the world. In this work, we adopt simulations to quantify the efficiency and robustness of the international pesticide trade networks under shocks to economies. Shocks are simulated based on nine node metrics, and three strategies are utilized based on descending, random, and ascending node removal. It is found that the efficiency and robustness of the international trade networks of pesticides increased for all the node metrics except the clustering coefficient. Moreover, the international pesticide trade networks are more fragile when import-oriented economies are affected by shocks.

In today's agriculture, there are far too many innovations involved. One of the emerging technologies is pesticide spraying using drones. Manual pesticide spraying has a number of negative consequences for the people who are involved in the spraying operation. The result of exposure symptoms can include minor skin inflammation and birth abnormalities, tumors, genetic modifications, nerve and blood diseases, endocrinal interference, coma or death. However, Drone can be used to automate fertilizer application, pesticide spraying, and field tracking. This paper provides a concise overview of the use of drones for field inspection and pesticide spraying. displays different methodologies and controllers of agriculture drone and explains some essential Drone Hardware, Software elements and applications

The extensive use of pesticides and synthetic dyes poses critical threats to food safety, human health, and environmental sustainability, necessitating rapid and reliable detection methods. Raman spectroscopy offers molecularly specific fingerprints but suffers from spectral noise, fluorescence background, and band overlap, limiting its real-world applicability. Here, we propose a deep learning framework based on ResNet-18 feature extraction, combined with advanced classifiers, including XGBoost, SVM, and their hybrid integration, to detect pesticides and dyes from Raman spectroscopy, called MLRaman. The MLRaman with the CNN-XGBoost model achieved a predictive accuracy of 97.4% and a perfect AUC of 1.0, while it with the CNN-SVM model provided competitive results with robust class-wise discrimination. Dimensionality reduction analyses (PCA, t-SNE, UMAP) confirmed the separability of Raman embeddings across 10 analytes, including 7 pesticides and 3 dyes. Finally, we developed a user-friendly Streamlit application for real-time prediction, which successfully identified unseen Raman spectra from our independent experiments and also literature sources, underscoring strong generalizatio

Biodiversity loss driven by agricultural intensification is a pressing global issue, with significant implications for ecosystem stability and human well-being. Existing policy instruments have so far proven insufficient in halting this decline, which raises the need to explore the possible feedback loops that are pivotal to ecosystem degradation. We design a minimal integrated bio-economic agent-based model to qualitatively explore macro-level biodiversity trends, as influenced by individual farmer behavior within simple decision-making processes. Our model predicts further biodiversity decline under a business-as-usual scenario, primarily due to intensified land consolidation. We evaluate two policy options: reducing pesticide use and subsidizing small farmers. While pesticide reduction rapidly benefits biodiversity in the beginning, it eventually leads to increased land consolidation and further biodiversity loss. In contrast, subsidizing small farmers by reallocating a small fraction of existing subsidies, stabilizes farm sizes and enhances biodiversity in the long run. The most effective strategy results from combining both policies, leveraging pesticide reduction alongside ta

Mutually beneficial interactions between plant and pollinators play an essential role in the biodiversity, stability of the ecosystem and crop production. Despite their immense importance, rapid decline events of pollinators are common worldwide in past decades. Excessive use of chemical pesticides is one of the most important threat to pollination in the current era of anthropogenic changes. Pesticides are applied to the plants to increase their growth by killing harmful pests and pollinators accumulates toxic pesticides from the interacting plants directly from the nectar and pollen. This has a significant adverse effect on the pollinator growth and the mutualism which in turn can cause an abrupt collapse of the community however predicting the fate of such community dynamics remains a blur under the alarming rise in the dependency of chemical pesticides. We mathematically modeled the influence of pesticides in a multispecies mutualistic community and used 105 real plant-pollinator networks sampled worldwide as well as simulated networks, to assess its detrimental effect on the plant-pollinator mutualistic networks. Our results indicate that the persistence of the community is st

Pesticides are a kind of agricultural input, whose use can greatly reduce yield loss, regulate plant growth, effectively liberate agricultural productivity, and improve food security. The availability of pesticides in economies all over the world is ensured by pesticide redistribution through international trade and economies play different roles in this process. In this work, we measure and rank the importance of economies using nine node metrics in an evolutionary way. It is found that the clustering coefficient is correlated negatively with the other eight node metrics, while the other eight node metrics are positively correlated with each other and can be grouped into three communities (betweenness; in-degree, PageRank, authority, and in-closeness; out-degree, hub, and out-closeness). We further investigate the structural robustness of the international pesticide trade networks proxied by the giant component size under three types of shocks to economies (node removal in descending order, randomly, and in ascending order). The results show that, except for the clustering coefficient, the international pesticide trade networks are relatively robust under shocks to economies in as

Small molecules play a critical role in the biomedical, environmental, and agrochemical domains, each with distinct physicochemical requirements and success criteria. Although biomedical research benefits from extensive datasets and established benchmarks, agrochemical data remain scarce, particularly with respect to species-specific toxicity. This work focuses on ApisTox, the most comprehensive dataset of experimentally validated chemical toxicity to the honey bee (\textit{Apis mellifera}), an ecologically vital pollinator. The primary goal of this study was to determine the suitability of diverse machine learning approaches for modeling such toxicity, including molecular fingerprints, graph kernels, and graph neural networks, as well as pretrained models. Comparative analysis with medicinal datasets from the MoleculeNet benchmark reveals that ApisTox represents a distinct chemical space. Performance degradation on non-medicinal datasets, such as \mbox{ApisTox}, demonstrates their limited generalizability of current state-of-the-art algorithms trained solely on biomedical data. Our study highlights the need for more diverse datasets and for targeted model development geared toward

The statistical properties including community structure of the international trade networks of all commodities as a whole have been studied extensively. However, the international trade networks of individual commodities often behave differently. Due to the importance of pesticides in agricultural production and food security, we investigate the evolving community structure in the international pesticide trade networks (iPTNs) of five categories from 2007 to 2018. We unveil the community structures in the undirected and directed iPTNs exhibits regional patterns. However, the regional patterns are very different for undirected and directed networks and for different categories of pesticide. Moreover, the community structure is stabler in the directed iPTNs than in the undirected iPTNs. We also extract the intrinsic community blocks for the directed international trade networks of each pesticide category. It is found that the largest intrinsic community block is the stablest that appears in every pesticide category and contains important economies (Belgium, Germany, Spain, France, United Kingdom, Italy, Netherlands, and Portugal) in Europe. Other important and stable intrinsic commu

The global importance of effective and affordable pesticides to optimise crop yield and to support health of our growing population cannot be understated. But to develop new products or refine existing ones in response to climate and environmental changes is both time-intensive and expensive which is why the agrochemical industry is increasingly interested in using mechanistic models as part of their formulation development toolbox. In this work, we develop such a model to describe uptake of pesticide spray droplets across the leaf surface. We simplify the leaf structure by identifying the outer cuticle as the main barrier to uptake; the result is a novel, hybrid model in which two well-mixed compartments are separated by a membrane in which we describe the spatio-temporal distribution of the pesticide. This leads to a boundary value partial differential equation problem coupled to a pair of ordinary differential equation systems which we solve numerically. We also simplify the pesticide formulation into two key components: the Active Ingredient which produces the desired effect of the pesticide and an Adjuvant which is present in the formulation to facilitate effective absorption

The use of unmanned aerial vehicles (UAV) is revolutionizing the agricultural industry. Cashews are grown by approximately 70% of small and marginal farmers, and the cashew industry plays a critical role in their economic development. To take timely counter measures against plant diseases and infections, it is imperative to monitor and detect diseases as early as possible and take suitable measures. Using UAVs, such as those that are equipped with artificial intelligence, can assist farmers by providing early detection of crop diseases and precision pesticide application. An edge computing paradigm of Artificial Intelligence is employed to process this image in order to make decisions with the least amount of latency possible. As a result of these decisions, the stage of infestation, the crops affected, the method of prevention of spreading the disease, and what type and amount of pesticides need to be applied can be determined. UAVs equipped with sensors detect disease patterns quickly and accurately over large areas. Combined with AI algorithms, these machines can analyse data from a variety of sources such as temperature, humidity, CO2 levels and soil composition. This allows th

Water is an essential resource for all living organisms. The continuous and increasing use of pesticides in agricultural and urban activities results in the pollution of water resources and represents an environmental risk. To control and reduce pesticide pollution, reliable multi-residue methods for the detection of these compounds in water are needed. In this context, the present work aimed at providing an analytical method for the simultaneous determination of trace levels of 51 target pesticides in water and applying it to the investigation of target pesticides in two agriculture-impacted areas of interest. The method developed, based on an isotopic dilution approach and on-line solid-phase extraction-liquid chromatography-tandem mass spectrometry, is fast, simple, and to a large extent automated, and allows the analysis of most of the target compounds in compliance with European regulations. Further application of the method to the analysis of selected water samples collected at the lowest stretches of the two largest river basins of Catalonia (NE Spain), Llobregat and Ter, revealed the presence of a wide suite of pesticides, and some of them at concentrations above the water

A method to efficiently and quantitatively study the delivery of a pesticide-surfactant formulation in water solution over plants leaves is presented. Instead of measuring the contact angle, the surface of the leaves wet area is used as key parameter. To this goal, a deep learning model has been trained and tested, to automatically measure the surface of area wet with water solution over cucumber leaves, processing the frames of video footage. We have individuated an existing deep learning model, reported in literature for other applications, and we have applied it to this different task. We present the measurement technique, some details of the deep learning model, its training procedure and its image segmentation performance. Finally, we report the results of the wet areas surface measurement as a function of the concentration of a surfactant in the pesticide solution.

The paradox of pesticides was observed experimentally, which says that pesticides may dramatically increase the population of a pest when the pest has a natural predator. Here we use a mathematical model to study the paradox. We find that the timing for the application of pesticides is crucial for the resurgence or non-resurgence of the pests. In particular, regularly applying pesticides is not a good idea as also observed in experiments. In fact, the best time to apply pesticides is when the pest population is reasonably high.