The Cumulative Risk to Human Health of Pharmaceuticals in New Jersey Surface Water

Surface water in New Jersey is used by many residential drinking water facilities. Like many water sources it is contaminated by upstream industrial and residential sources, including pharmaceutical residues. This research examines the concentrations of 18 pharmaceuticals in 30 New Jersey locations, their acceptable daily exposures (ADE), and potential drug–drug interactions (DDI). The surface water data was provided by the U.S. Geological Survey (USGS). ADEs for human health were set for each pharmaceutical in the study. The pharmaceuticals were evaluated for known adverse health interactions and their potential health impact. These factors were brought together using a cumulative hazard index (HI) risk assessment calculation to assess the overall risk of pharmaceuticals in NJ surface water to human health. When examining the potential for DDI in this assessment, the risk increased but not appreciably. The HI for the sample locations ranged from <0.00001 to 0.01 with the DDI adding less than 1.2× increase to the overall risk. The calculated risk of these mixtures was also increased to an extreme DDI of 7 times per interaction. A noticeable increase in the calculated risk was seen, but in no cases did it reach a level of concern.     

Pharmaceutical Contaminants in Potable Water: Potential Concerns for Pregnant Women and Children

There has been increasing concern of late over measurable levels of pharmaceutical contaminants in drinking water. Because most data on water contaminants pertains to aquatic organisms, we wished to assess the risk of these contaminants to human health at currently reported levels. Unlike most other chemicals, there are large amounts of information for the effects of most pharmaceuticals to humans and the current model uses the clinical dose required to cause biological effects as an endpoint to assess risks for pregnant women, children, and the healthy adult population. Twenty-six drugs have been detected in water systems worldwide: 7 in drinking water, 16 in ground water and post-treatment effluent, and 3 in both. Current water treatment practices, clearly, do not always remove pharmaceutical residues. Although healthy adults are unlikely to be adversely affected at the levels of exposure reported, children were shown to have up to eightfold higher risk and may be exposed to several drugs that are contraindicated or not established for safe use in pediatric medicine. The time taken to ingest a single clinically used dose was 3.4–34,000 years. In addition, pregnant women may be exposed to several drugs that are teratogenic (range of % single doses ingested over 36 weeks was 0.0006–12.6%) and in the post-natal period to drugs that are not recommended during breastfeeding. Albeit at low levels, the exposure of pregnant women and children to contraindicated drugs through drinking water is of concern. Further research in this area should focus on integrated ecological and human health consequences of long-term, low-level exposure to pharmaceutical contaminants, particularly in pregnancy and childhood.     

The Importance of Human Data in the Establishment of Occupational Exposure Limits

The use of animal vs. human data for the purposes of establishing human risk was examined for four pharmaceutical compounds: acetylsalicylic acid, cyclophosphamide, indomethacin and clofibric acid. Literature searches were conducted to identify preclinical and clinical data useful for the derivation of acceptable daily intakes (ADIs) from which a number of risk values including occupational exposure limits (OELs) could be calculated. OELs were calculated using human data and then again using animal data exclusively. For two compounds, ASA and clofibric acid use of animal data alone led to higher OELs (not health protective), while for indomethacin and cyclophosphamide use of animal data resulted in the same or lower OELs based on human data alone. In each case arguments were made for why the use of human data was preferred. The results of the analysis support a basic principle of risk assessment that all available data be considered     

Occurrence,distribution and transport of pesticides into the Salton Sea Basin,California, 2001–2002

The Salton Sea is a hypersaline lake located in southeastern California. Concerns over the ecological impacts of sediment quality and potential human exposure to dust emissions from exposed lakebed sediments resulting from anticipated shrinking of shoreline led to a study of pesticide distribution and transport within the Salton Sea Basin, California, in 2001–2002. Three sampling stations—upriver, river mouth, and offshore—were established along each of the three major rivers that discharge into the Salton Sea. Large-volume water samples were collected for analysis of pesticides in water and suspended sediments at the nine sampling stations. Samples of the bottom sediment were also collected at each site for pesticide analysis. Sampling occurred in October 2001, March–April 2002, and October 2002, coinciding with the regional fall and spring peaks in pesticide use in the heavily agricultural watershed. Fourteen current-use pesticides were detected in water and the majority of dissolved concentrations ranged from the limits of detection to 151 ng/l. Diazinon, EPTC and malathion were detected at much higher concentrations (940–3,830 ng/l) at the New and Alamo River upriver and near-shore stations. Concentrations of carbaryl, dacthal, diazinon, and EPTC were higher in the two fall sampling periods, whereas concentrations of atrazine, carbofuran, and trifluralin were higher during the spring, which matched seasonal use patterns of these pesticides. Current-use pesticides were also detected on suspended and bed sediments in concentrations ranging from detection limits to 106 ng/g. Chlorpyrifos, dacthal, EPTC, trifluralin, and DDE were the most frequently detected pesticides on sediments from all three rivers. The number of detections and concentrations of suspended sediment-associated pesticides were often similar for the river upriver and near-shore sites, consistent with downstream transport of pesticides via suspended sediment. While detectable suspended sediment pesticide concentrations were more sporadic than detected aqueous concentrations, seasonal trends were similar to those for dissolved concentrations. Generally, the pesticides detected on suspended sediments were the same as those on the bed sediments, and concentrations were similar, especially at the Alamo River upriver site. With a few exceptions, pesticides were not detected in suspended or bed sediments from the off-shore sites. The partitioning of pesticides between water and sediment was not predictable from solely the physical–chemical properties of individual pesticide compounds, but appear to be a complicated function of the quantity of pesticide applied in the watershed, residence time of sediments in the water, and compound solubility and hydrophobicity. Sediment concentrations of most pesticides were found to be 100–1,000 times lower than the low-effects levels determined in human health risk assessment studies. However, maximum concentrations of chlorpyrifos on suspended sediments were approximately half the low-effects level, suggesting the need for further sediment characterization of lake sediments proximate to riverine inputs. Guest editor: S. H. Hurlbert The Salton Sea Centennial Symposium. Proceedings of a Symposium Celebrating a Century of Symbiosis Among Agriculture, Wildlife and People, 1905–2005, held in San Diego, California, USA, March 2005     

Screening site contamination usina pathway exposure factors

Radian Corporation conducted an investigation of 29 waste sites at an air force base in New Mexico in partial fulfillment of the RCRA operating permit requirements for the facility. The contract required that the investigation be conducted under the Installation Restoration Program (IRP/CERCLA). In an effort to satisfy both RCRA and CERCLA requirements, a hybrid approach was taken for the risk assessment. Site contaminants ranged from petroleum and unconventional fuels to solvents, pesticides, and PCBs. A screening method was developed to classify the level of contamination at each of the 29 sites based on soil and groundwater sampling results. Under this method, sites were classified as “dirty,”; “clean,”; or “borderline.”; Dirty sites did not require a full‐scale risk assessment because some form of remedial action would be necessary. However, clean sites and borderline sites required a full‐scale risk assessment. For clean sites, the risk assessment served as justification for no further action; for borderline sites, the risk assessment determined whether or not remedial action would be required. The screening method used previously developed multipathway and multimedia models for estimating potential human exposure to environmental contaminants in the air, water, and soil through inhalation, ingestion, and dermal contact routes. Pathway exposure factors (PEFs), which combined information on human physiology, behavior patterns, and models of environmental transport, were used to determine the relationship between the concentration of environmental contaminants and human exposure. The PEF converts concentrations in environmental media to lifetime‐equivalent chronic daily intakes (CDI). Three exposure pathways contributing the greatest proportion of the risk were considered for screening these sites: (1) incidental ingestion of soil; (2) dermal contact with soil; and (3) ingestion of water. This project demonstrated that a screening approach could be used effectively to limit the number of full‐scale risk assessments required for a multisite investigation.     

Assessment of potentially toxic heavy metals and health risk in water,sediments, and different fish species of River Kabul,Pakistan

Contamination of freshwater bodies and consequently freshwater fish with toxic heavy metals is a serious environmental issue. The trophic transfer of potentially toxic heavy metals in the human food chains, especially in fish has important implications for human health. The present research study was designed to assess the concentrations of the heavy metals Cr, Ni, Cd, and Pb in the water, sediments, and different freshwater fish species of River Kabul, Pakistan. The heavy metals were quantified in the samples with Atomic Absorption Spectrophotometer. Heavy metal contamination in fish muscles was characterized in terms of metal pollution index and biota-sediments accumulation factor, while human health risk was assessed through calculation of estimated weekly intake. The average concentrations of Cr, Ni, Cd, and Pb in muscle samples of the analyzed fish species at different sampling sites of the river ranged from 12.3 to 33.0, 33.2 to 109.2, 0.98 to 1.5, and 13.9 to 29.6 mg kg^?1 wet weight, respectively. Based on the current study data, consumption of the analyzed freshwater fish species from River Kabul was generally safe in terms of potential risk from Cd and Pb but the observed Ni accumulation may pose a potential health risk to regular/excessive fish consumers.     

The influence of six pharmaceuticals on freshwater sediment microbial growth incubated at different temperatures and UV exposures

Pharmaceutical compounds have been detected in freshwater for several decades. Once they enter the aquatic ecosystem, they may be transformed abiotically (i.e., photolysis) or biotically (i.e., microbial activity). To assess the influence of pharmaceuticals on microbial growth, basal salt media amended with seven pharmaceutical treatments (acetaminophen, caffeine, carbamazepine, cotinine, ibuprofen, sulfamethoxazole, and a no pharmaceutical control) were inoculated with stream sediment. The seven pharmaceutical treatments were then placed in five different culture environments that included both temperature treatments of 4, 25, 37°C and light treatments of continuous UV-A or UV-B exposure. Microbial growth in the basal salt media was quantified as absorbance (OD(550)) at 7, 14, 21, 31, and 48d following inoculation. Microbial growth was significantly influenced by pharmaceutical treatments (P?相似文献   

Metal enrichment in water and fish in a semi-urban Nigerian lake,and their associated risks

Trace metal (Zn, Pb, Cu, Cr and Cd) concentrations in the water column and in the liver, muscle and gill tissues of Parachanna obscura and Clarias gariepinus in Agulu Lake, Nigeria, were investigated in June 2014 and compared with WHO and FAO safe limits for water and fish. Hazard index (HI) values were estimated to assess the potential public health risk of consuming contaminated fish. Lead and cadmium exceeded WHO guideline values for drinking water. In most cases, variations in concentration of the metals in organs were liver > muscle > gill. Differences in tissue-specific concentrations between species were not significant, except for zinc in muscles and gills. Cadmium and chromium were not detected in the fish, but lead was above the FAO maximum value for consumption. Hazard index values were below 1, indicating a low risk to public health. However, trace metal contamination in Agulu Lake is increasing.     

Arsenic and heavy metals health risk assessment through drinking water consumption in the Peshawar District,Pakistan

This study aimed to assess the drinking water quality and human potential health risk in Peshawar, which is the most populous district of Khyber Pakhtunkhwa Province, Pakistan. Water was randomly collected throughout Peshawar District (urban = 45 samples and rural = 29 samples). These samples were analyzed for heavy metal (As, Cd, Co, Cu, Cr, Hg, Ni, Pb, and Zn) concentrations using the atomic absorption spectrometer (Perkin Elmer, AAS-PEA-700). Heavy metal concentrations in drinking water revealed the highest pollution index (PI) values—17.80, 11.92, 7.50, and 5.70 for the Pb, Cr, Cd, and Ni, respectively. The contaminations of Cd and Pb were significantly higher (p < .05) than their maximum allowable limits set by the World Health Organization. Heavy metal contaminations in drinking water were evaluated for health risk assessment: the chronic risk or hazard quotient (HQ) and cancer risk. Results revealed that HQ values were >1 for the Cd and Pb, suggesting that the exposed human beings could be at chronic risk. Therefore, serious measures such as drinking water treatments and contamination controlling policies are needed to avoid the hazardous effects of toxic heavy metals.     

PHYTOREMEDIATION POTENTIAL OF VETIVER GRASS [CHRYSOPOGON ZIZANIOIDES (L.)] FOR TETRACYCLINE

The presence of veterinary and human antibiotics in soil and surface water is an emerging environmental concern. The current study was aimed at evaluating the potential of using vetiver grass as a phytoremediation agent in removing Tetracycline (TC) from aqueous media. The study determined uptake, translocation, and transformation of TC in vetiver grass as function of initial antibiotic concentrations and exposure time. Vetiver plants were grown for 60 days in a greenhouse in TC contaminated hydroponic system. Preliminary results show that complete removal of tetracycline occurred within 40 days in all TC treatments. Initial concentrations of TC had significant effect (p < 0.0001) on the kinetics of removal. Tetracycline was detected in the root as well as shoot tissues, confirming uptake and root-to-shoot translocation. Liquid-chromatography-tandem-mass-spectrometry analysis of plant tissue samples suggest presence of metabolites of TC in both root and shoot tissues of vetiver grass. The current data is encouraging and is expected to aid in developing a cost-effective, in-situ phytoremediation technique to remove TC group of antibiotics from wastewater.     

A Risk Assessment Approach for Policy Evaluation: New Jersey Case Studies

Monitoring environmental policy progress often focuses on contaminant concentrations while policy goals address health. To bridge this gap, we developed policy evaluation case studies applying risk assessment methods to explore population health risks of chemical exposures before and after policy implementation. Beginning in the 1970s the New Jersey Department of Environmental Protection provided some of the United States' first data on contaminants including trichloroethylene in drinking water and polychlorinated biphenyls (PCBs) in fish. These data provide a unique opportunity to evaluate environmental policies. The 1979 PCB manufacturing ban succeeded in reducing exposure and risk, but the persistence of these compounds in local fish requires continued state and local consumption advisories. The positive impact of drinking water standards for trichloroethylene was reflected in declining detection in public water supplies from the late 1970s to 2005, although maximum concentrations in a small percentage of supplies remain above standards. Our case studies show success and progress, and the need for multiple policies in combination when conditions warrant. Tracking specific policies and contaminants using risk assessment methods can be a valuable tool for policy evaluation and can foster population-based environmental health research. Pollution prevention policies are warranted for chemicals that persist in the environment.     

Metals and metalloids in a first order stream of the Atlantic rainforest: abiotic matrices,bioaccumulation in fishes and human health risk assessment

Background and aimMetals and metalloids have been found in several streams and rivers from the Atlantic Rainforest (ARF), one of the world´s leading biodiversity hotspot, which may represent a risk for environmental and human health. The aims of this study were: 1) to evaluate the accumulation and distribution of 24 trace elements in water, sediments and fish tissues (muscle and gills) of sixteen species from the Atlantic Rainforest, 2) to explore bioaccumulation patterns in fish tissues and abiotic matrices, and 3) to assess the impact of metal and metalloids on the human health from water and fish consumption.MethodsWater, sediments and fish samples were collected from Ramos Stream (Misiones Province, Argentina). The concentrations of Ag, Al, As, Ba, Be, Cd, Co, Cr, Cs, Cu, Fe, Ga, Hg, Li, Mg, Mn, Ni, Pb, Se, Sr, Ti, U, V and Zn were determined by Quadrupole Inductively Coupled Plasma Mass Spectrometry. Bioaccumulation factors (BAFs) were used to evaluate bioaccumulation of metals and metalloids in relation to water and sediment. The Hazard Quotient (HQ), Hazard Index (HI) and Target Hazard Quotient (THQ, general and fisherman populations) were calculated to assess the non-carcinogenic human health risk from water and fish consumption.ResultsThe concentrations of several elements in water and sediment were higher than the international guidelines for aquatic biota protection. Levels of As, Pb and Zn in muscle and gills were above national and international guidelines for human consumption. The bioaccumulation factors ranged from 749 to 13,029 being higher in gills than in muscle. The HQ and HI ranged from 0.001 to 0.015. The THQ for each element and total THQ values were lower than 0.1.ConclusionBioaccumulation factor suggests that several species have a moderate capacity to incorporate some metals and metalloids from the abiotic matrices. According to the HI and THQ values found, there is no risk to human health from consumption of water and fish.     

Probabilistic Risk Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Produced Water

The produced water extracted during oil and gas production includes formation water, injected water, small volumes of condensed water, and any chemical added during the oil/water separation process. Produced water contains both organic and inorganic constituents, and several studies have been conducted in the past to assess their risk. The toxicity and persistence of polycyclic aromatic hydrocarbons (PAHs) in produced water is of particular environmental concern, but there are very few studies on human health risk assessment from PAHs of produced water. This article summarizes the results of a conservative human health risk assessment approach for PAHs in produced water discharges to the marine environment. Due to the absence of available toxicity data for PAHs, the cancer slope factors were determined by using the relative potency factors (RPF) and Toxicity Equivalency Factors (TEF). Using the concentration distribution factors, the maximum cancer risks to humans were predicted in the range of 4.07 × 10^?7 to 2.95 × 10^?6. The 95th-percentile values show that the risks are well within the acceptable limits.     

Concentration of arsenic in groundwater,vegetables, human hair and nails in mining site in the Northern Thai Nguyen province,Vietnam: human exposure and risks assessment

This study was aimed to examine the risk of chronic arsenic (As) exposure for the residents living in Nui Phao, Thai Nguyen in the northern Vietnam. Groundwater, vegetables, human hair, and nail samples were collected from volunteers living in Nui Phao. The results revealed that 75% of the groundwater samples had As exceeding the World Health Organization (WHO) drinking water guideline of 10 µg L^?1. The result of As concentration for most of the vegetable samples was greater than the WHO/FAO safe (0.1?mg kg^?1). The result of hair and nail samples in this study showed that 3.5 and 20% of the samples had As concentration exceeding the level of As toxicity in hair and nails, respectively. The result of health risks indicated that the potential health risk of As contamination is greater for groundwater than vegetables. The total hazard quotient (HQ) value through vegetables ingestion and drinking water exceeded 1.0 suggesting potential health risk for local residents. The calculation of potential carcinogenic risk through both consumption of vegetables and drinking water was low cancer risk in adults. Other food sources and the exposure pathways are needed to exactly assess health risks in this area.     

Risk Assessment Applications Beyond Baseline Risks and Clean-Up Goals

Historically, the phrase “Risk Assessment” brought to mind a thick Superfund-type baseline risk assessment or clean-up goal derivation document filled with pages of tables with endless seemingly unrelated algorithms and numbers. Over the last decade, the principles of risk and exposure assessment have gained wide-reaching acceptance and are increasingly utilized to help solve other environmental impact, occupational health, or risk mitigation design problems. The typical objective of the classic risk assessment is the evaluation of current or future risks from exposure to contaminated media within the framework of a regulatory waste management or remediation program. Risk-based techniques are increasingly being used on a voluntary basis (i.e., outside of the standard regulatory arena) to demonstrate the presence, absence, or extent of environmental or health-related concerns in specific exposure circumstances. Likewise, a risk or exposure evaluation may be useful in determining the need for, or the legitimacy of, a public health advisory, alone or in conjunction with remedial or mitigative actions. Finally, risk-based techniques often find their way into the courtroom. Three case studies are presented in which riskbased solutions were employed to assist in resolving environmental or health-related issues: (1) a reversal of a fish consumption advisory; (2) an evaluation of arsenic in soil on and adjacent to a school facility; and (3) a challenge to a case of alleged methyl bromide exposure in a litigation context. In each case, the use of risk assessment principles was employed beyond the classic baseline risk assessment to address an applied problem of toxicological significance.     

Probabilistic Estimates of Lifetime Daily Doses from Consumption of Drinking Water Containing Trace Levels of N,N-diethyl-meta-toluamide (DEET), Triclosan,or Acetaminophen and the Associated Risk to Human Health

Risk assessments were conducted for N,N-diethyl-meta-toluamide (DEET), triclosan, and acetaminophen to evaluate the risk from exposure to trace levels of these chemicals through drinking water consumption. We estimated exposure to these chemicals through drinking water consumption by generating distributions for key exposure parameters using Monte Carlo analysis. Body weight and water consumption was modeled using data from the U.S. Environmental Protection Agency (USEPA) Exposure Factor Handbook. Water concentrations were derived from reported concentrations in streams. Dose-response was evaluated through extensive literature searches for toxicology data for each chemical. Acceptable daily intakes (ADIs) were then derived from the available toxicology data. The exposure distributions were compared to the ADIs to evaluate the potential risk to the population from drinking water exposure. ADIs of 0.100, 0.153, and 0.05 mg/kg-day were derived for DEET, acetaminophen and triclosan, respectively. The maximum estimated exposures (0.082, 0.834, and 0.193 μ g/kg/day for DEET, acetaminophen, and triclosan, respectively) were at least 100-fold lower than the corresponding ADIs. Based on these assessments, we conclude that there is minimal risk to human health from exposure to these chemicals at the reported concentrations in U.S. streams.     

Health risk assessment of fluoride in water distribution network of Mashhad,Iran

High and low levels of fluoride in drinking waters have been considered as a major public health issue in recent years. This cross-sectional study was conducted over five consecutive years (from 2012 to 2016) in the water distribution network of Mashhad city, Iran with the objectives of determining levels of fluoride and to perform health risk assessment among residents in the study area. Water samples were taken from 30 stations and were analyzed using UV-visible spectrophotometer. The mean annual concentrations of fluoride in all stations during five years of consecutive study were lower than the respective maximum permissible limits (1.5 mg/L) in water as regulated by the WHO. The human health risk assessment was performed by calculating the chronic daily intake and hazard quotient (HQ) of fluoride through human oral intake for adults (men and women) and children for each year during a five-year study. Health risk analysis in this study presented that the non-carcinogenic risk associated with fluoride exposure through drinking water in Mashhad was mostly acceptable because the mean HQ values of fluoride were lower than 1.     

Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach

The presence of polyhalogenated persistent organic pollutants (POPs), such as Cl/Br-substituted benzenes, biphenyls, diphenyl ethers, and naphthalenes has been identified in all environmental compartments. The exposure to these compounds can pose potential risk not only for ecological systems, but also for human health. Therefore, efficient tools for comprehensive environmental risk assessment for POPs are required. Among the factors vital for environmental transport and fate processes is melting point of a compound. In this study, we estimated the melting points of a large group (1419 compounds) of chloro- and bromo- derivatives of dibenzo-p-dioxins, dibenzofurans, biphenyls, naphthalenes, diphenylethers, and benzenes by utilizing quantitative structure—property relationship (QSPR) techniques. The compounds were classified by applying structure-based clustering methods followed by GA-PLS modeling. In addition, random forest method has been applied to develop more general models. Factors responsible for melting point behavior and predictive ability of each method were discussed.     

Platinum cytotoxic drugs in the municipal wastewater and drinking water,a validation method and health risk assessment

Three cancerostatic platinum compounds (CPCs) including cisplatin, carboplatin and oxaliplatin are complexes of Pt and classified as probable carcinogenic compounds to humans. This study aimed to perform health risk assessment of platinum cytotoxic drugs for drinking water by developing a sensitive analytical method in the water resource of Qom Province in the central part of Iran. Concentrations of the platinum drugs were determined, including 052 ± 0.2 µg/L for cisplatin, 0.94 ± 0.36 µg/L for carboplatin and 0.27 ± 0.16 µg/L for oxaliplatin in influent samples, and 0.24 ± 0.07 µg/L for cisplatin, 0.28 ± 0.05 µg/L for carboplatin and 0.11 ± 0.01 µg/L for oxaliplatin in effluent samples. The results indicated that in all the well water samples related to the groundwater, the concentration of the platinum-based compounds was lower than the calculated limits of quantification (LOQ); the concentration of cisplatin, carboplatin and oxaliplatin across the samples in the station of drinking water distribution was also below the limits of detection (LOD). The resulting margin of exposure (MOE) is lower than one (MOE < 1) for the three groups including children, pregnant women and lactation women related to cisplatin and carboplatin was determined through exposure to raw and untreated drinking water. Further research is recommended to be conducted in this area, particularly environmental fate of metabolites and transformation products.     

A bacterial reporter panel for the detection and classification of antibiotic substances

The ever‐growing use of pharmaceutical compounds, including antibacterial substances, poses a substantial pollution load on the environment. Such compounds can compromise water quality, contaminate soils, livestock and crops, enhance resistance of microorganisms to antibiotic substances, and hamper human health. We report the construction of a novel panel of genetically engineered Escherichia coli reporter strains for the detection and classification of antibiotic substances. Each of these strains harbours a plasmid that carries a fusion of a selected gene promoter to bioluminescence (luxCDABE) reporter genes and an alternative tryptophan auxotrophy‐based non‐antibiotic selection system. The bioreporter panel was tested for sensitivity and responsiveness to diverse antibiotic substances by monitoring bioluminescence as a function of time and of antibiotic concentrations. All of the tested antibiotics were detected by the panel, which displayed different response patterns for each substance. These unique responses were analysed by several algorithms that enabled clustering the compounds according to their functional properties, and allowed the classification of unknown antibiotic substances with a high degree of accuracy and confidence.