cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.23605833
title: Assessing and mitigating batch effects in large-scale multiomics studies

description: <strong>Quartet RNA reference materials and multi-batch RNA-seq dataset</strong> The Quartet RNA reference materials were derived from the Epstein-Barr Virus (EBV) immortalized B-lymphoblastoid cell lines from four members of a Chinese family quartet including monozygotic twin daughters (D5 and D6), father (F7), and mother (M8). RNA-seq datasets from the Quartet RNA reference materials were then collected, consisting of 252 RNA-seq libraries from 21 batches generated in eight labs using two library construction protocols (PolyA selection and RiboZero) and two sequencing platforms (Illumina NovaSeq (ILM) and MGI DNBSEQ-T7 (BGI)). Here, a batch is defined as 12 libraries from a standard sample set, consisting of 12 vials with each representing one of the triplicates of the Quartet RNA reference sample groups, whose library construction and sequencing experiments were conducted simultaneously. To facilitate the adoption of reference materials, reference datasets, and quality metrics from the Quartet Project, we developed a Quartet Data Portal (http://chinese-quartet.org/) for access to the Quartet resources and enhancing quality consciousness of the community. Researchers can request the reference materials, datasets, and reference datasets from the data portal. <br> <strong>Dataset used in this study</strong> A subset of datasets from Quartet RNA reference materials for illustrating visualization tools in terms of diagnostics of batch effects. This example dataset includes 27 libraries from three RNA-seq batches. Different numbers of replicates (n=5~9) of reference materials are included in each batch to mimic a confounded scenario that replicates of reference materials are not equally distributed across batches. <br> <strong>Data analysis</strong> Expression matrix in log2-transformed Fragments Per Kilobase of transcript per Million mapped reads (FPKM) values were used as expression profiles before batch correction. Expression profiles based on detected genes were used for further analysis. A gene was considered detectable (expressed) in a biological group within a batch if ≥ 3 reads were mapped onto it in at least two of the three replicates. Ratio-based scaling was conducted for batch correction. Specifically, ratio-based scaling were calculated based on log2FPKM values. For each gene, the mean of expression profiles of replicates of reference sample(s) (e.g. D6) was first calculated, and then subtracted from the log2FPKM values of that gene in each study.
DOI: 10.5281/zenodo.8099383
title: Source data of the study of syntactic and pragmatic relations

description: The data contain detailed answers of test participants to questions asked in accordance with the scenario of examining syntactic and pragmatic relations between tactile cartographic signs, planned to be placed on tactile maps of historic gardens in various garden design styles. The study was conducted as part of testing the legibility of cartographic tactile signs, realized within the research project No. Rzeczy są dla ludzi/0005/2020-00, titled “Technology for the development of tactile maps of historic parks”, financed by the National Centre for Research and Development, for the years 2021–2024, and realized at the Military University of Technology, Faculty of Civil Engineering, and Geodesy (Warsaw, Poland).
DOI: 10.5281/zenodo.8099382
title: Source data of the study of syntactic and pragmatic relations

description: The data contain detailed answers of test participants to questions asked in accordance with the scenario of examining syntactic and pragmatic relations between tactile cartographic signs, planned to be placed on tactile maps of historic gardens in various garden design styles. The study was conducted as part of testing the legibility of cartographic tactile signs, realized within the research project No. Rzeczy są dla ludzi/0005/2020-00, titled “Technology for the development of tactile maps of historic parks”, financed by the National Centre for Research and Development, for the years 2021–2024, and realized at the Military University of Technology, Faculty of Civil Engineering, and Geodesy (Warsaw, Poland).
DOI: 10.25345/c5hq3s833
title: MassIVE MSV000092313 - Proteomics Analysis of the UMK2 Mutation in Arabidopsis thaliana seeds
title: We compared the proteome of dry as well as germinating seeds of Arabidopsis thaliana wild type Col-0 with the respective proteomes from an umk2 (AT4G25280) frameshift mutant. Germinating seeds were incubated for 48 hours in 1/2-MS medium in Petri dishes at 4 degree Celsius followed by 24 hours of a phytochamber under long-day conditions. Protein extraction, digestion by SP3 workflow, and LC-IMS-MS/MS analysis as described in https://doi.org/10.1038/s41477-022-01308-6.
DOI: 10.6084/m9.figshare.23608215
title: Reproduction package from A matter of time: Bateman's principles and mating success as count and duration across social strata in contemporary Finland

description: Contains code and data to reproduce the figures and tables
DOI: 10.6084/m9.figshare.23608215.v1
title: Reproduction package from A matter of time: Bateman's principles and mating success as count and duration across social strata in contemporary Finland

description: Contains code and data to reproduce the figures and tables
DOI: 10.6084/m9.figshare.23608209
title: BDNF PTSD Data

description: Deidentified data of the PTSD BDNF genetic treatment study.
DOI: 10.7270/q23f4qvf
title: BindingDB Entry 50041082: 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 2. C-Alkylation of pyrimidines with Mannich bases and application to the synthesis of trimethoprim and analogues.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot Q27713 and Q920D2
DOI: 10.7270/q2zp479n
title: BindingDB Entry 50041083: 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 3. C-Benzylation of aminopyridines with phenolic Mannich bases. Synthesis of 1- and 3-deaza analogues of trimethoprim.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot Q920D2
DOI: 10.7270/q2cr5vj1
title: BindingDB Entry 50041103: 1,2,5-thiadiazole 1-oxide and 1,1-dioxide derivatives. A new class of potent histamine H2-receptor antagonists.

description: Small molecule binding data for protein Histamine H1 receptor and Histamine H2 receptor, Uniprot P31389 and P47747
DOI: 10.5281/zenodo.8213061
title: The Plasma-Prescribed Active Region Static Extrapolation Dataset

description: The Plasma-Prescribed Active Region Static Extrapolation (PARSE) Dataset consists of approximately seven thousand magnetohydrostatic extrapolations of solar active regions for use in statistical or machine learning applications. The extrapolations are based on the Spaceweather HMI Active Region Patch (SHARP) library (doi 10.1007/s11207-014-0529-3), and the magnetohydrostatic extrapolation is performed by the routine detailed in Mathews et al 2022 (doi 10.1016/j.jcp.2022.111214).
DOI: 10.5281/zenodo.8213060
title: The Plasma-Prescribed Active Region Static Extrapolation Dataset

description: The Plasma-Prescribed Active Region Static Extrapolation (PARSE) Dataset consists of approximately seven thousand magnetohydrostatic extrapolations of solar active regions for use in statistical or machine learning applications. The extrapolations are based on the Spaceweather HMI Active Region Patch (SHARP) library (doi 10.1007/s11207-014-0529-3), and the magnetohydrostatic extrapolation is performed by the routine detailed in Mathews et al 2022 (doi 10.1016/j.jcp.2022.111214).
DOI: 10.7270/q28053sj
title: BindingDB Entry 50041104: Angiotensin-converting enzyme inhibitors: importance of the amide carbonyl of mercaptoacyl amino acids for hydrogen bonding to the enzyme.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12822
DOI: 10.7270/q2542prf
title: BindingDB Entry 50041128: Monocyclic pteridine analogues. Inhibition of Escherichia coli dihydropteroate synthase by 6-amino-5-nitrosoisocytosines.

description: Small molecule binding data for protein Bacterial dihydropteroate synthase, Uniprot P0AC13
DOI: 10.7270/q21c1z2k
title: BindingDB Entry 50041129: An interdisciplinary approach to the design of new structures active at the beta-adrenergic receptor. Aliphatic oxime ether derivatives.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.6084/m9.figshare.23720949.v1
title: Raw Data

description: Raw data
DOI: 10.7270/q2n29z3j
title: BindingDB Entry 50041132: New chiral and isomeric cyclopropyl ketoxime propanolamine derivatives with potent beta-adrenergic blocking properties.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.7270/q2445npz
title: BindingDB Entry 50041136: Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates.

description: Small molecule binding data for protein Thiopurine S-methyltransferase, Uniprot P51580
DOI: 10.7270/q2bp0408
title: BindingDB Entry 50041142: Beta 1-selective adrenoceptor antagonists: examples of the 2-[4-[3-(substituted amino)-2-hydroxypropoxy]phenyl]imidazole class. 2.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot Q8K4Z4
DOI: 10.7270/q2251kc9
title: BindingDB Entry 50041152: Synthesis of a series of compounds related to betaxolol, a new beta 1-adrenoceptor antagonist with a pharmacological and pharmacokinetic profile optimized for the treatment of chronic cardiovascular diseases.

description: Small molecule binding data for protein Adrenergic receptor beta, Beta-1 adrenergic receptor, and Beta-2 adrenergic receptor, Uniprot P18090 and P54833
DOI: 10.7270/q27p90kq
title: BindingDB Entry 50041166: Topically active carbonic anhydrase inhibitors. 1. O-acyl derivatives of 6-hydroxybenzothiazole-2-sulfonamide.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2bg2q57
title: BindingDB Entry 50041173: Synthesis and in vitro pharmacology of arpromidine and related phenyl(pyridylalkyl)guanidines, a potential new class of positive inotropic drugs.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31389
DOI: 10.7270/q2z89dmh
title: BindingDB Entry 50041176: Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of [beta-(Aroylamino)ethyl]piperazines and -piperidines and [2-[(Arylamino)carbonyl]ethyl]piperazines, -pyrazinopyridoindoles, and -pyrazinoisoquinolines. A new class of potent H1 antagonists.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31389
DOI: 10.7270/q2qj7jg6
title: BindingDB Entry 50041201: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449 and P48450
DOI: 10.7270/q2mp54hc
title: BindingDB Entry 50041226: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity.

description: Small molecule binding data for protein Serotonin receptor 2a and 2b (5HT2A and 5HT2B), Uniprot P30994
DOI: 10.7270/q24j0g96
title: BindingDB Entry 50041253: Dual metalloprotease inhibitors: mercaptoacetyl-based fused heterocyclic dipeptide mimetics as inhibitors of angiotensin-converting enzyme and neutral endopeptidase.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neutral Endopeptidase (NEP), Uniprot P07861 and P12822
DOI: 10.3886/e193233
title: The Census Tree, 1860-1900

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.3886/e193233v1
title: The Census Tree, 1860-1900

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.7270/q2mc918d
title: BindingDB Entry 50041290: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, Alpha-1D adrenergic receptor, Beta-1 adrenergic receptor, HRH3, HTR4, Histamine H1 receptor, Histamine H2 receptor, Muscarinic acetylcholine receptor M3, Serotonin (5-HT) receptor, and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot O95264, P14842, P23944, P28222, P31389, P31390, P46098, P47747, Q62758, and Q9JI35
DOI: 10.7270/q2kd204k
title: BindingDB Entry 50041306: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin receptor 2a and 2b (5HT2A and 5HT2B), Uniprot P14842 and P30994
DOI: 10.7270/q2jd4z0t
title: BindingDB Entry 50041328: Structure-activity relationships of 1-alkyl-5-(3,4-dichlorophenyl)- 5-[2-[(3-substituted)-1-azetidinyl]ethyl]-2-piperidones. 1. Selective antagonists of the neurokinin-2 receptor.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2vq33wn
title: BindingDB Entry 50041355: 1,3-dioxolane-based ligands as a novel class of alpha1-adrenoceptor antagonists.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P23944, and P43140
DOI: 10.3886/e193234
title: The Census Tree, 1860-1880

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.3886/e193234v1
title: The Census Tree, 1860-1880

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.7270/q20866hv
title: BindingDB Entry 50041401: Design, synthesis, and biological evaluation of prazosin-related derivatives as multipotent compounds.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P23944, and P43140
DOI: 10.5281/zenodo.7516492
title: EPMA and LA-ICP-MS raw data supporting Vieira Duarte et al. (2023)

description: These datasets include EPMA and LA-ICP-MS raw data supporting the study published at <em><strong>Contributions in Mineralogy and Petrology</strong></em>, entitled "<strong>Oxide-silicate petrology and geochemistry of subducted hydrous ultramafic rocks beyond antigorite dehydration (Central Alps, Switzerland)</strong>".
DOI: 10.5281/zenodo.7516491
title: EPMA and LA-ICP-MS raw data supporting Vieira Duarte et al. (2023)

description: These datasets include EPMA and LA-ICP-MS raw data supporting the study published at <em><strong>Contributions in Mineralogy and Petrology</strong></em>, entitled "<strong>Oxide-silicate petrology and geochemistry of subducted hydrous ultramafic rocks beyond antigorite dehydration (Central Alps, Switzerland)</strong>".
DOI: 10.7270/q2057h5f
title: BindingDB Entry 50041451: Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. 1. Synthesis and SAR of alpha,alpha-dimethylglycine sulfonamides.

description: Small molecule binding data for protein BDKRB2, Uniprot P30411
DOI: 10.7270/q2h13374
title: BindingDB Entry 50041483: Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. 2. Synthesis and structure-activity relationships of alpha,alpha-cycloalkylglycine sulfonamides.

description: Small molecule binding data for protein BDKRB2 and Bradykinin B2 receptor, Uniprot O70526 and P30411
DOI: 10.7270/q2g16229
title: BindingDB Entry 50041502: Synthesis and alpha(1)-adrenoceptor antagonist activity of derivatives and isosters of the furan portion of (+)-cyclazosin.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P23944, and P43140
DOI: 10.7270/q26d5v6j
title: BindingDB Entry 50041575: A New Diterpene from a Soft Coral, Sinularia dissecta

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q22n53hn
title: BindingDB Entry 50041577: Acetylcholinesterase inhibition by territrem B derivatives.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q22f7pn5
title: BindingDB Entry 50041637: Design, synthesis, and evaluation of 5-sulfamoyl benzimidazole derivatives as novel angiotensin II receptor antagonists.

description: Small molecule binding data for protein AGTR1, Uniprot P25095
DOI: 10.7270/q25t3mqf
title: BindingDB Entry 50041763: Selective inactivation of triosephosphate isomerase from Trypanosoma cruzi by brevifolin carboxylate derivatives isolated from Geranium bellum Rose.

description: Small molecule binding data for protein Triosephosphate isomerase (TIM) and Triosephosphate isomerase, glycosomal, Uniprot P52270 and P60174
DOI: 10.7270/q25m66zp
title: BindingDB Entry 50041794: Exploration of a new series of PAR1 antagonists.

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1), Uniprot P25116
DOI: 10.7270/q23j3f68
title: BindingDB Entry 50041843: Chemistry around imidazopyrazine and ibuprofen: discovery of novel fatty acid amide hydrolase (FAAH) inhibitors.

description: Small molecule binding data for protein Anandamide amidohydrolase, Fatty-acid amide hydrolase 1 (FAAH), and Monoglyceride Lipase (MGL), Uniprot O00519, P97612, and Q99685
DOI: 10.7270/q2sf2xgf
title: BindingDB Entry 50042188: 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 5. 3',5'-Dimethoxy-4'-substituted-benzyl analogues of trimethoprim.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot Q920D2
DOI: 10.7270/q2x068b2
title: BindingDB Entry 50042218: Privileged molecules for protein binding identified from NMR-based screening.

description: Small molecule binding data for protein Vascular endothelial growth factor A, Uniprot P15692
DOI: 10.7270/q2qf8vbg
title: BindingDB Entry 50043578: The design of a novel series of muscarinic receptor antagonists leading to AZD8683, a potential inhaled treatment for COPD.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M3
DOI: 10.7270/q2gt5pnx
title: BindingDB Entry 50043991: TBA

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q2t1555m
title: BindingDB Entry 50044004: Arylethanolamines derived from salicylamide with alpha- and beta-adrenoceptor blocking activities. Preparation of labetalol, its enantiomers, and related salicylamides.

description: Small molecule binding data for protein Alpha-2B adrenergic receptor, Uniprot P18089
DOI: 10.3886/e193236
title: The Census Tree, 1870-1940

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.3886/e193236v1
title: The Census Tree, 1870-1940

description: The Census Tree is the largest-ever database of record links among the historical U.S. censuses, with over 700 million links for people living in the United States between 1850 and 1940. These links allow researchers to construct a longitudinal dataset that is highly representative of the population, and that includes women, Black Americans, and other under-represented populations at unprecedented rates. Each .csv file consists of a crosswalk between the two years indicated in the filename, using the IPUMS histids. For more information, consult the included Read Me file, and visit https://censustree.org.<br>
description: See https://censustree.org for more information.<br>
DOI: 10.7270/q2qj7kgm
title: BindingDB Entry 50048504: Synthesis of derivatives of the novel cyclophilin-binding immunosuppressant sanglifehrin A with reduced numbers of polar functions.

description: Small molecule binding data for protein Cyclophilin A, Uniprot P62937
DOI: 10.7270/q2639rx4
title: BindingDB Entry 50048601: Novel analogues of enkephalin: indentification of functional groups required for biological activity.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33535 and Q9R0C9
DOI: 10.7270/q20867h8
title: BindingDB Entry 50048649: beta-Adrenergic antagonists with multiple pharmacophores: persistent blockade of receptors.

description: Small molecule binding data for protein Adrenergic receptor beta, Uniprot P10608, P18090, and P26255
DOI: 10.7270/q2rj4mpw
title: BindingDB Entry 50048674: Potential synthetic codeine substitutes: (-)-3-O-aryl-N-methylmorphinans.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33535 and Q9R0C9