jimnoneill/paper-to-field-training huggingface dataset:
AI/ML Models to Predict the Severity of Drug-Induced Liver Injury for Small Molecules

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Drug-induced liver injury (DILI), believed to be a multifactorial toxicity, has been a leading cause of attrition of small molecules during discovery, clinical development, and postmarketing. Identification of DILI risk early reduces the costs and cycle times associated with drug development. In recent years, several groups have reported predictive models that use physicochemical properties or in vitro and in vivo assay endpoints; however, these approaches have not accounted for liver-expressed proteins and drug molecules. To address this gap, we have developed an integrated artificial intelligence/machine learning (AI/ML) model to predict DILI severity for small molecules using a combination of physicochemical properties and off-target interactions predicted in silico. We compiled a data set of 603 diverse compounds from public databases. Among them, 164 were categorized as Most DILI (M-DILI), 245 as Less DILI (L-DILI), and 194 as No DILI (N-DILI) by the FDA. Six machine learning methods were used to create a consensus model for predicting the DILI potential. These methods include k-nearest neighbor (k-NN), support vector machine (SVM), random forest (RF), Naïve Bayes (NB), artificial neural network (ANN), logistic regression (LR), weighted average ensemble learning (WA) and penalized logistic regression (PLR). Among the analyzed ML methods, SVM, RF, LR, WA, and PLR identified M-DILI and N-DILI compounds, achieving a receiver operating characteristic area under the curve of 0.88, sensitivity of 0.73, and specificity of 0.9. Approximately 43 off-targets, along with physicochemical properties (fsp3, log S, basicity, reactive functional groups, and predicted metabolites), were identified as significant factors in distinguishing between M-DILI and N-DILI compounds. The key off-targets that we identified include: PTGS1, PTGS2, SLC22A12, PPARγ, RXRA, CYP2C9, AKR1C3, MGLL, RET, AR, and ABCC4. The present AI/ML computational approach therefore demonstrates that the integration of physicochemical properties and predicted on- and off-target biological interactions can significantly improve DILI predictivity compared to chemical properties alone.
Synthesis and Characterization of Polyimide with Improved Adhesion Property for Copper Foil

Field: Materials Science (Physical Sciences)

차세대(5G) 디스플레이의 발전으로 인하여 데이터 전송량이 점차 증가하므로, 신호전송이 빠른 대역대인 고주파 대역을 사용한다. 신호전송을 위한 회로는 동박과 폴리이미드 필름으로 이뤄진 유연동박적층판(FCCL)이 사용되는데, 고주파는 표면으로 신호가 흐르므로 두 소재 사이의 계면 조도를 낮춰 경로를 최소화하여야 한다. 그러나 저조도 동박을 사용하면 동박과 폴리이미드 수지와의 접착 강도가 떨어지게 되므로 이러한 문제점을 보완해야 한다. 본 연구에서는 동박과 접착력 향상을 위해 다양한 폴리이미드 구조를 설계하고, 아민계 실란 기능기를 도입한 폴리아믹산을 합성하였다. 다양한 구조의 폴리아믹산은 pyromellitic dianhydride(PMDA), 3,3
Essays on misallocation of production inputs and energy efficiency in Indian industries

Field: Economics, Econometrics and Finance (Social Sciences)

This thesis explores the causes and consequences of resource misallocation and energy efficiency in the context of firm heterogeneity in Indian manufacturing. In the first chapter, I quantify misallocation in the Indian cast iron sector. I develop a method to disentangle distortions that capture input misallocation from fundamental demand heterogeneity across firms. In the second chapter I explore why material inputs are misallocated in the cast iron sector, focusing on differences in access to suppliers through the transportation network. In the third chapter I estimate the causal relationship between industrial electricity prices and electricity productivity for a large panel of Indian plants.
Significance of erythropoietin receptor expression and microvessel density in colorectal carcinoma

Field: Medicine (Health Sciences)

Objective:To explore the expression of erythropoietin receptor in colorectal carcinoma;and the relation with microvessel density(MVD) in human colorectal carcinoma.Methods:The expression of EPO-R in surgical samples of 48 cases carcinoma and nomal colorectal tissue were investigated by immunohistochmcal method.Results:The expression level of EPO-R in colorectal carcinoma tissue was higher than normal colorectal tissue.And it was significantly associated with differentiation,Dukes stage and lymph nodes metastasis(P0.05).The MVD in EPO-R positive patients was significantly hight than that in EPO-R-negative patients(P0.05).Conclusion:EPO-R was expressed in colorectal carcinoma,the ratio of over-expressed is high.The expression of EPO-R has a closely relationship with angiogenesis in colorectal carcinoma.It act as an angiogenic growth factor which can affect the biological behavior of tumors.
Aqueous alteration of primordial organic molecules: planetary implications

Field: Chemistry (Physical Sciences)

Organic molecules are abundant in primitive solar system bodies such as comets and asteroids. These primordial organic compounds may have formed in the interstellar medium and in protoplanetary disks before being accreted and further transformed in the parent bodies of meteorites, icy moons, and dwarf planets. Primordial organics analogs were produced in a laboratory simulator of the protoplanetary disk. Their N/C ratio covers a wide range on either side of the solar composition. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS) analysis of these analogs show that they are made of several thousands of molecules with masses between m/z 100 and 500.&#160; The mass spectra show a gaussian shape with maxima around m/z 250. Highly condensed polyaromatic hydrocarbons (PAH) are the most common compounds identified in the samples with low nitrogen contents.Laboratory experiments have been carried out to investigate the chemical evolution of primordial organic analogs in contact with water. These organic compounds were placed in three different high-pressure devices covering a large domain of (pressure, temperature) conditions relevant to the interior of icy bodies. Each device provides complementary information on the evolution of the organic matter. The results are still being analyzed. Preliminary observations show that the organic matter is still composed of thousands of molecules in the mass range 100-500 m/z. Nitrogen poor organics seem relatively unaffected while nitrogen-rich organics are dramatically altered (heteroatoms released). The liquid phase becomes enriched in different ions likely to form salts. The remaining insoluble organic matter (IOM) is more aromatic than the initial one.As icy moons accreted and differentiated, the organic matter reacted with water. The residual IOM and the rocky minerals formed a refractory core. Our experiments suggest that the organic fraction of this refractory core is likely nitrogen poor and made of polycyclic aromatic hydrocarbons. These molecules further evolve as the refractory core heats up by the decay of the long-lived radioactive elements contained in the silicate fraction.
MBE-grown InGaAsP solar cells with 1.0 eV bandgap on InP(001) substrates for application to multijunction solar cells

Field: Materials Science (Physical Sciences)

In this study, we have developed the first ever solid-source molecular beam epitaxy (SS-MBE)-grown In0.81Ga0.19As0.43P0.57/In0.47Ga0.53As dual-junction solar cells grown on InP substrates with a 1.0/0.7 eV bandgap for use in mechanically stacked multijunction solar cells. We studied the adsorption efficiencies of As2 and P2 to determine the optimal parameters for the growth of lattice-matched In0.81Ga0.19As0.43P0.57 by SS-MBE. The adsorption efficiency of As2 was found to be seven times greater than that of P2, and lattice-matched In0.81Ga0.19AsyP1−y (y = 0.43) can be achieved at a PAs/(PP + PAs) ratio of ∼0.10. Then, we studied the effect of growth temperature on the characteristics of lattice-matched In0.81Ga0.19As0.43P0.57 single-junction solar cells. The open-circuit voltage (VOC) was found to be greatly affected by the growth temperature, and the highest VOC = 0.47 V (efficiency η = 10.5%) was obtained for cells grown at 440 °C. On the other hand, photoluminescence intensity measured for these cells at room temperature monotonically increased with an increase in the growth temperature, which implies that the reduction in VOC for the cells grown at 400 and 420 °C was due to the increase in the intrinsic defects and unexpected contaminations. By contrast, the reduction in VOC for the cell grown at 450 °C is presumably attributed to an increase in local compositional fluctuations. We integrated the abovementioned In0.81Ga0.19As0.43P0.57 top cell with the In0.47Ga0.53As bottom cell and an η of 3.7% was obtained using an 880-nm-long pass filter.
Mapping and statistical analysis of filaments locations in amorphous HfO2 ReRAM cells

Field: Materials Science (Physical Sciences)

Two optical inspection techniques, Photon Emission Microscopy (PEM) and Optical Beam Induced Resistance Change (OBIRCH) laser stimulation, are used to study the forming and to map the locations of filaments in amorphous HfO2 Resistive Random-Access Memory (ReRAM) cells. The low voltage sensitivity of OBIRCH is used to investigate filament pre-forming while the high frame rate of a Silicon Intensified Charge-Coupled Device (SI-CCD) is used to dynamically study the filament after the initial forming. A Spatial Clustering Model (SCM) is developed to explain the non-Poisson spatial distribution of individual filaments measured from multiple cells of the same size.
Human Parathyroid Peptide (HPTH 1–34) Treatment Increases the Mean Wall Thickness of Iliac Trabecular Packets of New Bone in Patients with Crush Fracture Osteoporosis

Field: Medicine (Health Sciences)

Conference Abstract| December 01 1988 Human Parathyroid Peptide (HPTH 1–34) Treatment Increases the Mean Wall Thickness of Iliac Trabecular Packets of New Bone in Patients with Crush Fracture Osteoporosis JN Bradbeer; JN Bradbeer 1MRC Clinical Research Centre, Harrow HA1 3UJ, UK Search for other works by this author on: This Site PubMed Google Scholar M Arlot; M Arlot *Unité INSERM 234, Faculté Alexis Carrel, Lyon, France Search for other works by this author on: This Site PubMed Google Scholar J Reeve; J Reeve 1MRC Clinical Research Centre, Harrow HA1 3UJ, UK Search for other works by this author on: This Site PubMed Google Scholar PJ Meunier PJ Meunier *Unité INSERM 234, Faculté Alexis Carrel, Lyon, France Search for other works by this author on: This Site PubMed Google Scholar Clin Sci (Lond) (1988) 75 (s19): 16P. https://doi.org/10.1042/cs075016Pb Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter LinkedIn Cite Icon Cite Get Permissions Citation JN Bradbeer, M Arlot, J Reeve, PJ Meunier; Human Parathyroid Peptide (HPTH 1–34) Treatment Increases the Mean Wall Thickness of Iliac Trabecular Packets of New Bone in Patients with Crush Fracture Osteoporosis. Clin Sci (Lond) 1 December 1988; 75 (s19): 16P. doi: https://doi.org/10.1042/cs075016Pb Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentAll JournalsClinical Science Search Advanced Search This content is only available as a PDF. © 1988 The Biochemical Society and the Medical Research Society1988 Article PDF first page preview Close Modal You do not currently have access to this content.
Observations of the magnetopause current layer: Cases with no boundary layer and tests of recent models

Field: Physics and Astronomy (Physical Sciences)

Evidence for the probable existence of magnetospheric boundary layers was first presented by Hones, et al. (1972), based on VELA satellite plasma observations (no magnetic field measurements were obtained). This magnetotail boundary layer is now known to be the tailward extension of the high-latitude boundary layer or plasma mantle (first uniquely identified using HEOS 2 plasma and field observations by Rosenbauer et al., 1975) and the low-latitude boundary layer (first uniquely identified using IMP 6 plasma and field observations by Eastman et al., 1976). The magnetospheric boundary layer is the region of magnetosheath-like plasma located Earthward of, but generally contiguous with the magnetopause. This boundary layer is typically identified by comparing low-energy (less than 10 keV) ion spectra across the magnetopause. Low-energy electron measurements are also useful for identifying the boundary layer because the shocked solar wind or magnetosheath has a characteristic spectral signature for electrons as well. However, there are magnetopause crossings where low-energy electrons might suggest a depletion layer outside the magnetopause even though the traditional field-rotation signature indicates that this same region is a boundary layer Earthward of the current layer. Our analyses avoided crossings which exhibit such ambiguities. Pristine magnetopause crossings are magnetopause crossings for which the current layer is well defined and for which there is no adjoining magnetospheric boundary layer as defined above. Although most magnetopause models to date apply to such crossings, few comparisons between such theory and observations of pristine magnetopause crossings have been made because most crossings have an associated magnetospheric boundary layer which significantly affects the applicable boundary conditions for the magnetopause current layer. Furthermore, almost no observational studies of magnetopause microstructure have been done even though key theoretical issues have been discussed for over two decades. This is because plasma instruments deployed prior to the ISEE and AMPTE missions did not have the required time resolution and most ISEE investigations to-date have focused on tests of MHD plasma models, especially reconnection. More recently, many phenomenological and theoretical models have been developed to explain the existence and characteristics of the magnetospheric boundary layers with only limited success to date. The cases with no boundary layer treated in this study provide a contrary set of conditions to those observed with a boundary layer. For the measured parameters of such cases, a successful boundary layer model should predict no plasma penetration across the magnetopause. Thus, this research project provides the first direct observational tests of magnetopause models using pristine magnetopause crossings and provides important new results on magnetopause microstructure and associated kinetic processes.
Transoral Videolaryngoscopic Surgery (TOVS)

Field: Medicine (Health Sciences)

咽喉頭癌に対する喉頭機能温存治療には咽喉頭部分切除手術と (化学) 放射線治療がある。従来の頸部外切開による咽喉頭部分切除術は手術侵襲が高いものであったが，経口的アプローチにより病変とその周囲のみの最低限の切除による治療が可能となってきている。本稿においては拡張型喉頭鏡と硬性内視鏡下に行うTransoral videolaryngoscopic surgery (TOVS) について解説を行う。本法の特色としては頭頸部外科医のみで施行可能であり，内視鏡で広い視野を得つつ，直達鏡下の手術手技で一塊切除が可能である。手術適応としては上皮内癌から一部のT3症例まで一塊切除が可能であり，放射線治療後のrT1，rT2症例に対しても一部応用が可能である。治療成績としては声門上，下咽頭癌においては5年粗生存率，疾患特異的生存率，局所制御率，喉頭温存率，無再発生存率は82％，98％，95％，95％，81％であり，中咽頭癌においては5年粗生存率，疾患特異的生存率，局所制御率，無再発生存率は89％，94％，91％，76％であった。周術期の注意点としては術後出血や気道浮腫への対応が重要であり，中長期的には少ないながらも嚥下障害のリスクについての説明が必要である。
Robust Emission Management Strategy to Meet Real-World Emission Requirements for HD Diesel Engines

Field: Engineering (Physical Sciences)

<div class="section abstract"><div class="htmlview paragraph">Heavy-duty diesel engines are used in different application areas, like long-haul, city distribution, dump truck and building and construction industry. For these wide variety of areas, the engine performance needs to comply with the real-world legislation limits and should simultaneously have a low fuel consumption and good drivability.</div><div class="htmlview paragraph">Meeting these requirements takes substantial development and calibration effort, where an optimal fuel consumption for each application is not always met in practice. TNO's Integrated Emission Management (IEM) strategy, is able to deal with these variations in operating conditions, while meeting legislation limits and obtaining on-line cost optimization. Based on the actual state of the engine and aftertreatment, optimal air-path setpoints are computed, which balances EGR and SCR usage.</div><div class="htmlview paragraph">Due to IEM's adaptation characteristics based on the actual state of engine and aftertreatment system, the strategy is robust for varying conditions during real-world operation. This is especially of interest, since real-world emissions become increasingly important: in-use compliance, including Not-To-Exceed (NTE) areas, challenging On-Board-Diagnostics requirements and In-Use Performance Ratio (IUPR) monitoring.</div><div class="htmlview paragraph">The main contribution of this work is to demonstrate the robustness of IEM on a variety of real-world cycles by means of a simulation study. Whereas previous publications focus on demonstration of the IEM strategy on Type Approval cycles, this work can be seen as an extension, which also addresses In-Service Conformity (ISC).</div><div class="htmlview paragraph">This paper discusses in detail the performance and robustness of the IEM strategy at these cycles compared with a state-of-the-art Euro-VI engine control strategy (baseline). Consequent improvements are obtained among the different cycles. Fuel consumption and fluid cost are reduced up to 2% and 1.7%, respectively, compared to this baseline strategy.</div></div>
Innovation Generation and Technology Transfer: System and Information Aspects

Field: Decision Sciences (Social Sciences)

Factors and effects of the creation and dissemination of innovations are considered in terms of system positions. The main problems of the innovative development of the Russian economy are analyzed. The most critical phases of information support in technology transfer are shown. The concept of an interactive information platform is presented, which enables the search for information (and interaction) for potential investors, technological partners, and buying organizations, as well as making it possible to position an innovative project (R&D results) in a publicly available format. Some priorities have been identified to improve information support for research, development and innovation.
Evaluation of Judgment Ability and Driving Characteristics of Elderly Driver to Traffic Guide Sign

Field: Engineering (Physical Sciences)

Judgement of guide sign is one of the difficult tasks for elderly drivers, sincethey are weakin the task of recognition and judgement of traffic circumstances in a short time. The purpose of the presentpaper is to evalua to driver judgementtime of guide sign and to develop a system to estimate those abilities of elderly drivers with Computer Graphics.In this study, two types of driver judgements are determined. The one is the place name judgement, which is the direction judgement of the place on the guide sign. The other is the direction judgement, which is the one not on the guide sign.Conclusions obtained are as follows.(1) Computer graphics are available to estimate many kindsof driving judgement times.(2) Direction judgement takes much time than the name place judgement. Differences are 1.05 seconds in younger driver, 0.95seconds in older driver.(3) Old driver's Judgment times are longer than those on younger driver's in both the place name judgement and the direction judgement. Differences are 1.05seconds inthe place name judgement, 0.95seconds in the direction judgement.(4) The hight of characters on guide sign are need to be 1.2 to 1.6 times larger than the guide sign standard designed for yonger drivers.
In Silico Studies Reveal Antiviral Effects of Traditional Indian Spices on COVID-19

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Background: The global health emergency due to SARS-CoV-2 causing the COVID-19 pandemic emphasized the scientific community to intensify their research work for its therapeutic solution. In this study, Indian traditional spices owing to various medicinal properties were tested in silico for their inhibitory activity against SARS-CoV-2 proteins. SARS-CoV-2 spike proteins (SP) and main proteases (M pro ) play a significant role in infection development were considered as potential drug targets. Methods: A total of 75 phytochemicals present in traditional Indian spices retrieved from the published literature and Dr. Duke’s Phytochemical and Ethnobotanical Database, were docked with M pro (PDB IDs: 6YNQ), and the SP (PDB IDs: 6LXT and 6YOR). Results: Through the screening process, 75 retrieved phytochemicals were docked with spike protein (PDB IDs: 6LXT and 6YOR) and main protease (PDB ID: 6YNQ) of SARS-CoV-2. Among them, myricetin, a flavonoid (rank score: 6LXT: -11.72383; 6YOR: -9.87943; 6YNQ: -11.68164) from Allium sativum L and Isovitexin, an example of flavone (rank score: 6LXT: -12.14922; 6YOR: -10.19443; 6YNQ: -12.60603) from Pimpinella anisumL were the most potent ligands against SP and M pro of SARS-CoV-2. Whereas, Astragalin from Crocus sativus L.; Rutin from Illicium verum, Oxyguttiferone from Garcinia cambogia; Scopolin from Apium graveolens L, Luteolin from Salvia officinalis, Emodin, Aloe-emodin from Cinnamomum zeylanicium and Apigenin from Allium sativum L showed better inhibition against M pro than SP of SARS-CoV-2. The amino acid residues like SER, LYS, ASP and TYR were found playing important role in protein-ligand interactions via hydrogen bonding and Vander Waals forces. Conclusion: Optimal use of traditional spices in our daily meals may help fight against COVID-19. This study also paves the path for herbal drug formulation against SARS-CoV-2 after wet lab validation.
Evaluating a Low-Cost Replacement for the Humphrey Visual Field Test Using AI-Based Image Analysis of Binocular Visual Field (BVF) Data

Field: Health Professions (Health Sciences)

Visual field testing is essential for diagnosing and managing conditions like glaucoma, yet the current clinical standard, the Humphrey Visual Field (HVF) test, is costly, time-intensive, and not always easily accessible. This project focuses on validating a low-cost, paper-based alternative developed by the Ooi Lab known, a unique Binocular Visual Field (BVF) test, where patients manually draw regions of vision loss. To analyze and compare these subjective BVF results with HVF outcomes, I developed an AI-assisted image processing pipeline and graphical user interface (GUI) to quantify spatial agreement. The objectives of this study were to (1) build a GUI-based tool to extract BVF contours and overlay them with HVF pattern deviation maps, (2) compute agreement metrics such as Intersection over Union (IoU) and Hausdorff distance across 16 patient eye samples, and (3) integrate a lightweight decision tree classifier to assess whether spatial drawing errors could explain observed BVF-HVF mismatches. Using classical computer vision methods, I accurately segmented hand-drawn BVF regions and aligned them with clinical HVF images using field-of-view scaling and manual adjustment controls. The model was trained on image-derived spatial features and revealed that centroid shift (a measure of how far off a BVF drawing was from the HVF result) was the strongest predictor of misalignment. This confirmed that many mismatches stemmed from patient spatial reproduction error rather than perceptual inaccuracies. The analysis revealed moderate-to-strong spatial agreement across most cases, supporting the idea that BVF drawings can meaningfully reflect visual field deficits when interpreted using structured analysis. This work demonstrates that patient-drawn BVF results, when combined with AI-based analysis tools, can offer meaningful diagnostic value. The methods developed here lay the groundwork for future touchscreen-based BVF tests with real-time feedback and support scalable, accessible vision screening for patients unable to complete traditional HVF testing.