Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
2013
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | Getr. Zählung Ill., graph. Darst. |
Staff View
MARC
| LEADER | 00000nam a2200000 c 4500 | ||
|---|---|---|---|
| 001 | BV041221898 | ||
| 003 | DE-604 | ||
| 005 | 20180125 | ||
| 007 | t | ||
| 008 | 130816s2013 ad|| m||| 00||| eng d | ||
| 035 | |a (OCoLC)856873412 | ||
| 035 | |a (DE-599)BVBBV041221898 | ||
| 040 | |a DE-604 |b ger |e rakwb | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-29 |a DE-29T | ||
| 082 | 0 | |a 570 | |
| 082 | 0 | |a 610 | |
| 100 | 1 | |a Mühlbacher, Markus |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |c von Markus Mühlbacher |
| 264 | 1 | |c 2013 | |
| 300 | |a Getr. Zählung |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 502 | |a Erlangen-Nürnberg, Univ., Diss., 2013. - Enth. mehrere Sonderdrucke | ||
| 650 | 0 | 7 | |a Membranproteine |0 (DE-588)4130026-9 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Permeabilität |0 (DE-588)4173828-7 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Wirkstoff-Rezeptor-Bindung |0 (DE-588)4190019-4 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Molekulardesign |0 (DE-588)4265444-0 |2 gnd |9 rswk-swf |
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 689 | 0 | 0 | |a Wirkstoff-Rezeptor-Bindung |0 (DE-588)4190019-4 |D s |
| 689 | 0 | 1 | |a Membranproteine |0 (DE-588)4130026-9 |D s |
| 689 | 0 | 2 | |a Permeabilität |0 (DE-588)4173828-7 |D s |
| 689 | 0 | 3 | |a Molekulardesign |0 (DE-588)4265444-0 |D s |
| 689 | 0 | |5 DE-604 | |
| 856 | 4 | 2 | |m DNB Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026196435&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-026196435 | ||
Record in the Search Index
| _version_ | 1804150659392471040 |
|---|---|
| adam_text | TABLE OF CONTENTS
1. KURZFASSUNG 6
2. ABSTRACT 8
3. INTRODUCTION 10
3.1 COMPUTER-AIDED TOOLS FOR DRUG DESIGN11
3.2 IDENTIFICATION OF BIOLOGICALLY RELEVANT TARGETS
............................................... 12
3.2.1 BLOOD-BRAIN BARRIER PERMEABILITY 12
3.2.2 INHIBITION OF ADD SPHINGOMYELINASE (ASM) 14
3.2.3 DRUG-INDUCED PHOSPHOLIPIDOSIS 15
4. SOFTWARE TOOLS FOR CHEMOINFORMATIC MODELLING 18
4.1 SOFTWARE PACKAGES FOR DESCRIPTOR CALCULATION *............ 18
4.1.1 MOE - MOLECULAR OPERATIONS ENVIRONMENT 18
4.1.2 ACD/LABS SUITE
10.0 20
4.1.3 PARASURF 11.0 20
4.2 SOFTWARE PACKAGES FOR CALCULATING PREDICTION SYSTEMS -
..............................*.......*. 23
4.2.1 RAPIDMINER 23
5. RESULTS 25
5.1 PREDICTION OF THE BLOOD-BRAIN BARRIER PERMEABILITY...
.....................................*......... ........ 25
5.2 PREDICTION OF THE INHIBITION OF ACID SPHINGOMYELINASE
........*.........*...... ..... ..... 27
5.3 PREDICTION OF DRUG-INDUCED
PHOSPHOLIPIDOSIS.....................................................................................
28
5.4 DISCUSSION OF THE EXPERIMENTAL
RESULTS..............................................................................................
29
5.4.1 ANALYSIS OF THE MAXIMUM COMMON SUBSET 29
5.4.2 DISCUSSION OF THE PREDICTIVE MODELS 37
4
HTTP://D-NB.INFO/1041245165
6. SUMMARY & CONCLUSIONS 42
7. BIBLIOGRAPHY 44
8. LIST OF SCIENTIFIC PUBLICATIONS 53
9. ACKNOWLEDGEMENT 54
10. APPENDIX 55
5
|
| any_adam_object | 1 |
| author | Mühlbacher, Markus |
| author_facet | Mühlbacher, Markus |
| author_role | aut |
| author_sort | Mühlbacher, Markus |
| author_variant | m m mm |
| building | Verbundindex |
| bvnumber | BV041221898 |
| ctrlnum | (OCoLC)856873412 (DE-599)BVBBV041221898 |
| dewey-full | 570 610 |
| dewey-hundreds | 500 - Natural sciences and mathematics 600 - Technology (Applied sciences) |
| dewey-ones | 570 - Biology 610 - Medicine and health |
| dewey-raw | 570 610 |
| dewey-search | 570 610 |
| dewey-sort | 3570 |
| dewey-tens | 570 - Biology 610 - Medicine and health |
| discipline | Biologie Medizin |
| format | Thesis Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01712nam a2200409 c 4500</leader><controlfield tag="001">BV041221898</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20180125 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">130816s2013 ad|| m||| 00||| eng d</controlfield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)856873412</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV041221898</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-29</subfield><subfield code="a">DE-29T</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">570</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">610</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Mühlbacher, Markus</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties</subfield><subfield code="c">von Markus Mühlbacher</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2013</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">Getr. Zählung</subfield><subfield code="b">Ill., graph. Darst.</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="502" ind1=" " ind2=" "><subfield code="a">Erlangen-Nürnberg, Univ., Diss., 2013. - Enth. mehrere Sonderdrucke</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Membranproteine</subfield><subfield code="0">(DE-588)4130026-9</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Permeabilität</subfield><subfield code="0">(DE-588)4173828-7</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Wirkstoff-Rezeptor-Bindung</subfield><subfield code="0">(DE-588)4190019-4</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Molekulardesign</subfield><subfield code="0">(DE-588)4265444-0</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="0">(DE-588)4113937-9</subfield><subfield code="a">Hochschulschrift</subfield><subfield code="2">gnd-content</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Wirkstoff-Rezeptor-Bindung</subfield><subfield code="0">(DE-588)4190019-4</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Membranproteine</subfield><subfield code="0">(DE-588)4130026-9</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="2"><subfield code="a">Permeabilität</subfield><subfield code="0">(DE-588)4173828-7</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="3"><subfield code="a">Molekulardesign</subfield><subfield code="0">(DE-588)4265444-0</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">DNB Datenaustausch</subfield><subfield code="q">application/pdf</subfield><subfield code="u">http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026196435&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-026196435</subfield></datafield></record></collection> |
| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV041221898 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T00:42:26Z |
| institution | BVB |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-026196435 |
| oclc_num | 856873412 |
| open_access_boolean | |
| owner | DE-29 DE-29T |
| owner_facet | DE-29 DE-29T |
| physical | Getr. Zählung Ill., graph. Darst. |
| publishDate | 2013 |
| publishDateSearch | 2013 |
| publishDateSort | 2013 |
| record_format | marc |
| spelling | Mühlbacher, Markus Verfasser aut Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties von Markus Mühlbacher 2013 Getr. Zählung Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Erlangen-Nürnberg, Univ., Diss., 2013. - Enth. mehrere Sonderdrucke Membranproteine (DE-588)4130026-9 gnd rswk-swf Permeabilität (DE-588)4173828-7 gnd rswk-swf Wirkstoff-Rezeptor-Bindung (DE-588)4190019-4 gnd rswk-swf Molekulardesign (DE-588)4265444-0 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Wirkstoff-Rezeptor-Bindung (DE-588)4190019-4 s Membranproteine (DE-588)4130026-9 s Permeabilität (DE-588)4173828-7 s Molekulardesign (DE-588)4265444-0 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026196435&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Mühlbacher, Markus Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties Membranproteine (DE-588)4130026-9 gnd Permeabilität (DE-588)4173828-7 gnd Wirkstoff-Rezeptor-Bindung (DE-588)4190019-4 gnd Molekulardesign (DE-588)4265444-0 gnd |
| subject_GND | (DE-588)4130026-9 (DE-588)4173828-7 (DE-588)4190019-4 (DE-588)4265444-0 (DE-588)4113937-9 |
| title | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |
| title_auth | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |
| title_exact_search | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |
| title_full | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties von Markus Mühlbacher |
| title_fullStr | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties von Markus Mühlbacher |
| title_full_unstemmed | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties von Markus Mühlbacher |
| title_short | Computer-aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |
| title_sort | computer aided methods for predicting and analyzing drug localisation and membrane permeability using molecular properties |
| topic | Membranproteine (DE-588)4130026-9 gnd Permeabilität (DE-588)4173828-7 gnd Wirkstoff-Rezeptor-Bindung (DE-588)4190019-4 gnd Molekulardesign (DE-588)4265444-0 gnd |
| topic_facet | Membranproteine Permeabilität Wirkstoff-Rezeptor-Bindung Molekulardesign Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026196435&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT muhlbachermarkus computeraidedmethodsforpredictingandanalyzingdruglocalisationandmembranepermeabilityusingmolecularproperties |