cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25549/inscriptifact-ouc110593785
title: Persepolis Fortification Elamite Tablet 0894, PF-NN 0894

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF-NN 0894 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/jrbm-c91-1749
title: Unjigi, 1---?

description: Kūkai. Unjigi. [Japan: s.l., 1---?]. = 空海. 吽字義. [Japan: s.l., 1---?]. Text in Chinese; with Japanese reading marks. Henjōkongō sen = 遍照金剛撰.
DOI: 10.25549/inscriptifact-ouc110593754
title: Persepolis Fortification Elamite Tablet 0894, PF-NN 0894

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF-NN 0894 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/inscriptifact-ouc110593769
title: Persepolis Fortification Elamite Tablet 0894, PF-NN 0894

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF-NN 0894 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/jrbm-c91-1708
title: Shōchū rokujō, 1797

description: Shōchū rokujō. Nijōdōri [Kyoto]: Yoshida Shirōuemon, Kansei 9 [1797]. = 掌中六帖. 二条通 [Kyoto]: 吉田四郎右衞門, 寛政9 [1797]. On double leaves, oriental style (fukurotoji).
DOI: 10.25549/inscriptifact-ouc110593752
title: Persepolis Fortification Elamite Tablet 0894, PF-NN 0894

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF-NN 0894 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/inscriptifact-ouc110593767
title: Persepolis Fortification Elamite Tablet 0894, PF-NN 0894

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF-NN 0894 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/jrbm-c91-1461
title: Yakusha nigao hayageiko, 1817

description: Ichiyōsai Toyokuni Utagawa. Yakusha nigao hayageiko. Tōto [Edo]: Tsuruya Kiemon jōshi, [1817]. = 歌川豊国. 役者似顔早稽古. 東都 [江戶]: 鶴屋喜右衞門上梓, [1817]. Title from postscript. On double leaves, traditional East Asian binding style (fukurotoji). Preface by Jippensha Ikku, dated Bunka 14 [1817]. Postscript by Jippensha monjin Gohensha Hanku. Preface by 十返舎一九, dated 文化 14 [1817]. Postscript by 十返舎門人五返舎半九.
DOI: 10.25549/inscriptifact-ouc110592256
title: Persepolis Fortification Aramaic Text 273, PFAT 273

description: [Text Description:] Administrative text with seals PFATS 0026?; PFATS 0065 ❧ [Text or Publication Number Note:] PFAT 273, Bowman 273 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with ink inscription. Seal impressions PFATS 0026? on obverse; PFATS 0065 on reverse, flat edge.
DOI: 10.25549/inscriptifact-ouc110593362
title: Persepolis Fortification Elamite Text 0213, PF 0213

description: [Text Description:] Administrative text with seals PFS 0046; PFS 0076. Aramaic gloss. ❧ [Text or Publication Number Note:] PF 0213 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impressions PFS 0046 on reverse; PFS 0076 on left edge. Aramaic gloss in ink, upper edge (one line), reverse (two lines).
DOI: 10.25549/jrbm-c91-1739
title: Unjigi, 1---?

description: Kūkai. Unjigi. [Japan: s.l., 1---?]. = 空海. 吽字義. [Japan: s.l., 1---?]. Text in Chinese; with Japanese reading marks. Henjōkongō sen = 遍照金剛撰.
DOI: 10.25549/inscriptifact-ouc110592255
title: Persepolis Fortification Aramaic Text 273, PFAT 273

description: [Text Description:] Administrative text with seals PFATS 0026?; PFATS 0065 ❧ [Text or Publication Number Note:] PFAT 273, Bowman 273 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with ink inscription. Seal impressions PFATS 0026? on obverse; PFATS 0065 on reverse, flat edge.
DOI: 10.25549/inscriptifact-ouc110593356
title: Persepolis Fortification Elamite Text 0213, PF 0213

description: [Text Description:] Administrative text with seals PFS 0046; PFS 0076. Aramaic gloss. ❧ [Text or Publication Number Note:] PF 0213 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impressions PFS 0046 on reverse; PFS 0076 on left edge. Aramaic gloss in ink, upper edge (one line), reverse (two lines).
DOI: 10.25549/jrbm-c91-1734
title: Unjigi, 1---?

description: Kūkai. Unjigi. [Japan: s.l., 1---?]. = 空海. 吽字義. [Japan: s.l., 1---?]. Text in Chinese; with Japanese reading marks. Henjōkongō sen = 遍照金剛撰.
DOI: 10.25549/inscriptifact-ouc110592232
title: Persepolis Fortification Aramaic Text 273, PFAT 273

description: [Text Description:] Administrative text with seals PFATS 0026?; PFATS 0065 ❧ [Text or Publication Number Note:] PFAT 273, Bowman 273 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with ink inscription. Seal impressions PFATS 0026? on obverse; PFATS 0065 on reverse, flat edge.
DOI: 10.25549/inscriptifact-ouc110593349
title: Persepolis Fortification Elamite Text 0213, PF 0213

description: [Text Description:] Administrative text with seals PFS 0046; PFS 0076. Aramaic gloss. ❧ [Text or Publication Number Note:] PF 0213 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impressions PFS 0046 on reverse; PFS 0076 on left edge. Aramaic gloss in ink, upper edge (one line), reverse (two lines).
DOI: 10.25549/jrbm-c91-1475
title: Yakusha nigao hayageiko, 1817

description: Ichiyōsai Toyokuni Utagawa. Yakusha nigao hayageiko. Tōto [Edo]: Tsuruya Kiemon jōshi, [1817]. = 歌川豊国. 役者似顔早稽古. 東都 [江戶]: 鶴屋喜右衞門上梓, [1817]. Title from postscript. On double leaves, traditional East Asian binding style (fukurotoji). Preface by Jippensha Ikku, dated Bunka 14 [1817]. Postscript by Jippensha monjin Gohensha Hanku. Preface by 十返舎一九, dated 文化 14 [1817]. Postscript by 十返舎門人五返舎半九.
DOI: 10.25549/inscriptifact-ouc110592216
title: Persepolis Fortification Aramaic Text 272, PFAT 272

description: [Text Description:] Administrative text with seals PFUTS 0109s; PFATS 0278; PFATS 0001s ❧ [Text or Publication Number Note:] PFAT 272, Bowman 272 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with ink inscription. Seal impressions PFUTS 0109s on upper edge; PFATS 0278 on reverse, flat edge; PFATS 0001s on bottom edge.
DOI: 10.25549/inscriptifact-ouc110593348
title: Persepolis Fortification Elamite Tablet 0212, PF 0212

description: [Text Description:] Administrative text with seals ❧ [Text or Publication Number Note:] PF 0212 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text.
DOI: 10.25549/jrbm-c91-1482
title: Yakusha nigao hayageiko, 1817

description: Ichiyōsai Toyokuni Utagawa. Yakusha nigao hayageiko. Tōto [Edo]: Tsuruya Kiemon jōshi, [1817]. = 歌川豊国. 役者似顔早稽古. 東都 [江戶]: 鶴屋喜右衞門上梓, [1817]. Title from postscript. On double leaves, traditional East Asian binding style (fukurotoji). Preface by Jippensha Ikku, dated Bunka 14 [1817]. Postscript by Jippensha monjin Gohensha Hanku. Preface by 十返舎一九, dated 文化 14 [1817]. Postscript by 十返舎門人五返舎半九.
DOI: 10.25549/inscriptifact-ouc110592214
title: Persepolis Fortification Aramaic Text 272, PFAT 272

description: [Text Description:] Administrative text with seals PFUTS 0109s; PFATS 0278; PFATS 0001s ❧ [Text or Publication Number Note:] PFAT 272, Bowman 272 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with ink inscription. Seal impressions PFUTS 0109s on upper edge; PFATS 0278 on reverse, flat edge; PFATS 0001s on bottom edge.
DOI: 10.25549/inscriptifact-ouc110593332
title: Persepolis Fortification Elamite Text 0213, PF 0213

description: [Text Description:] Administrative text with seals PFS 0046; PFS 0076. Aramaic gloss. ❧ [Text or Publication Number Note:] PF 0213 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform, Aramaic ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impressions PFS 0046 on reverse; PFS 0076 on left edge. Aramaic gloss in ink, upper edge (one line), reverse (two lines).
DOI: 10.15468/dl.9exysa
title: Occurrence Download

description: A dataset containing 2304867272 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "Year 1981-2022"
 ]
}

 The dataset includes 2304867272 records from 54943 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026563-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3886/e119043
title: Replication Data for: Measuring Technological Innovation Over The Long Run

description: Replication Data for Measuring Innovation over the Long Run, AERI-2019-0499
DOI: 10.3886/e119043v1-177043
title: Replication Data for: Measuring Technological Innovation Over The Long Run

description: Replication Data for Measuring Innovation over the Long Run, AERI-2019-0499
DOI: 10.23645/epacomptox.28946147.v1
title: Assessing the Impact of In Vitro Xenobiotic Metabolism on Estrogenic Chemical Bioactivity in High-Throughput Profiling Assays

description: Data for “Assessing the Impact of In Vitro Xenobiotic Metabolism on Estrogenic Chemical Bioactivity in High-Throughput Profiling Assays.”Science Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&DEID=&personName=&personID=&role=Any&journalName=&journalID=&publisherName=&publisherID=&sortBy=pubDate&count=25
DOI: 10.23645/epacomptox.28946147
title: Assessing the Impact of In Vitro Xenobiotic Metabolism on Estrogenic Chemical Bioactivity in High-Throughput Profiling Assays

description: Data for “Assessing the Impact of In Vitro Xenobiotic Metabolism on Estrogenic Chemical Bioactivity in High-Throughput Profiling Assays.”Science Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&DEID=&personName=&personID=&role=Any&journalName=&journalID=&publisherName=&publisherID=&sortBy=pubDate&count=25
DOI: 10.57745/1nedve
title: ReadMe_DATASETS_FCopie.pdf

description: :unav
DOI: 10.57745/4dsdtt
title: DATA_Fig5a.trc

description: :unav
DOI: 10.57745/f4cbch
title: DATA_Fig4cd.trc

description: :unav
DOI: 10.57745/iawqmf
title: DATA_Fig3a.trc

description: :unav
DOI: 10.57745/idqadg
title: DATA_Fig4b.trc

description: :unav
DOI: 10.57745/skmbvv
title: DATA_Fig1.mat

description: :unav
DOI: 10.57745/tarcy9
title: DATA_Fig5c.trc

description: :unav
DOI: 10.57745/w5tkxa
title: DATA_Fig3b.trc

description: :unav
DOI: 10.57745/wkfo7d
title: DATA_Fig2.trc

description: :unav
DOI: 10.5517/ccdc.csd.cc2kqtx1
title: CCDC 2375434: Experimental Crystal Structure Determination

description: Related Article: Jian Liu, Ruohan Wang, Longyu Li, Wenkai Zhao, Zhaochen Suo, Wendi Shi, Guankui Long, Zhaoyang Yao, Xiangjian Wan, Yongsheng Chen|2025|Energy Environ.Sci.|18|4470|doi:10.1039/D4EE06155A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kqtz3
title: CCDC 2375436: Experimental Crystal Structure Determination

description: Related Article: Jian Liu, Ruohan Wang, Longyu Li, Wenkai Zhao, Zhaochen Suo, Wendi Shi, Guankui Long, Zhaoyang Yao, Xiangjian Wan, Yongsheng Chen|2025|Energy Environ.Sci.|18|4470|doi:10.1039/D4EE06155A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2lp4dv
title: CCDC 2403597: Experimental Crystal Structure Determination

description: Related Article: Serafima S. Slobodskaia, Nikolay N. Efimov, Alina S. Galkina, Galina S. Tsebrikova, Andrey B. Ilyukhin, Irina S. Ivanova, Vladimir E. Baulin, Aslan Yu. Tsivadze|2025|New J.Chem.|49|7451|doi:10.1039/D5NJ00123D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2m71gd
title: CCDC 2419843: Experimental Crystal Structure Determination

description: Related Article: Pinky Chauhan, Mangalampalli Ravikanth|2025|Dalton Trans.|54|7465|doi:10.1039/D5DT00431D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2m71hf
title: CCDC 2419844: Experimental Crystal Structure Determination

description: Related Article: Pinky Chauhan, Mangalampalli Ravikanth|2025|Dalton Trans.|54|7465|doi:10.1039/D5DT00431D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2m71jg
title: CCDC 2419845: Experimental Crystal Structure Determination

description: Related Article: Pinky Chauhan, Mangalampalli Ravikanth|2025|Dalton Trans.|54|7465|doi:10.1039/D5DT00431D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2m71kh
title: CCDC 2419846: Experimental Crystal Structure Determination

description: Related Article: Pinky Chauhan, Mangalampalli Ravikanth|2025|Dalton Trans.|54|7465|doi:10.1039/D5DT00431D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2m71wt
title: CCDC 2419856: Experimental Crystal Structure Determination

description: Related Article: Pinky Chauhan, Mangalampalli Ravikanth|2025|Dalton Trans.|54|7465|doi:10.1039/D5DT00431D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.q3mnqf
title: Occurrence Download

description: A dataset containing 3361 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-17.75492 31.33759,-15.6432 31.33759,-15.6432 33.35607,-17.75492 33.35607,-17.75492 31.33759))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "PublishingOrg is one of (c8d737e0-2ff8-42e8-b8fc-6b805d26fc5f, da86174a-a605-43a4-a5e8-53d484152cd3, a12c3c64-8070-4cc5-92c3-9f20bd02e9c4, bb646dff-a905-4403-a49b-6d378c2cf0d9)",
 "TaxonKey is Tracheophyta",
 "Year 2024-2025"
 ]
}

 The dataset includes 3361 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019922-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2mqlrq
title: CCDC 2434794: Experimental Crystal Structure Determination

description: Related Article: Serafima S. Slobodskaia, Nikolay N. Efimov, Alina S. Galkina, Galina S. Tsebrikova, Andrey B. Ilyukhin, Irina S. Ivanova, Vladimir E. Baulin, Aslan Yu. Tsivadze|2025|New J.Chem.|49|7451|doi:10.1039/D5NJ00123D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.15312082
title: Solvation Free Energies of Drug-like Molecules    via Fast-growth in Explicit Solvent: Assessment of the AM1-BCC,    RESP/HF/6-31G*, RESP/QM/
title: Work data for Solvation Free Energies of Drug-like Molecules    via Fast-growth in Explicit Solvent

description: Data for the paper "Solvation Free Energies of Drug-like Molecules   via Fast-growth in Explicit Solvent: Assessment of the AM1-BCC,   RESP/HF/6-31G*, RESP/QM/MM, and ABCG2 Fixed-charge Approaches"

DIRECTORIES

* bin/ : contains scripts to compute the solvation free energies from raw work data (see README inside).

* gromacs_mdp/: contains gromacs mdp files (see README inside)

* orac_input/: contains orac input  files (see README inside)

* ABCG2/: contains work data for ABCG2 model

* AM1BCC/: contains work data for AM1BCC model

* HF-631G/: contains work data for HF-631G model

* QM-MM/: contains work data for QM-MM model

* EXP/: contains experimental data.

work data for the 11 compounds for the, e.g. ABCG2 protocol, are inthe directories ABCG2/*/wat and ABCG2/*/oct