COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed

Gespeichert in:

Autor*in:	Thormann, M [verfasserIn] Klamt, A Wichmann, K Wittekindt, C Almstetter, M

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2008

Schlagwörter:	Quantum Chemical Calculation Chemical Calculation Surface Polarity Drug Candidate Virtual Screening

Anmerkung:	© Thormann et al. 2008

Übergeordnetes Werk:	Enthalten in: Chemistry central journal - London : BioMed Central, 2007, 2(2008), Suppl 1 vom: 26. März
Übergeordnetes Werk:	volume:2 ; year:2008 ; number:Suppl 1 ; day:26 ; month:03

Links:	Volltext

DOI / URN:	10.1186/1752-153X-2-S1-P15

Katalog-ID:	SPR030124735

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allfields	10.1186/1752-153X-2-S1-P15 doi (DE-627)SPR030124735 (SPR)1752-153X-2-S1-P15-e DE-627 ger DE-627 rakwb eng Thormann, M verfasserin aut COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed 2008 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Thormann et al. 2008 Quantum Chemical Calculation (dpeaa)DE-He213 Chemical Calculation (dpeaa)DE-He213 Surface Polarity (dpeaa)DE-He213 Drug Candidate (dpeaa)DE-He213 Virtual Screening (dpeaa)DE-He213 Klamt, A aut Wichmann, K aut Wittekindt, C aut Almstetter, M aut Enthalten in Chemistry central journal London : BioMed Central, 2007 2(2008), Suppl 1 vom: 26. März (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:2 year:2008 number:Suppl 1 day:26 month:03 https://dx.doi.org/10.1186/1752-153X-2-S1-P15 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2008 Suppl 1 26 03
spelling	10.1186/1752-153X-2-S1-P15 doi (DE-627)SPR030124735 (SPR)1752-153X-2-S1-P15-e DE-627 ger DE-627 rakwb eng Thormann, M verfasserin aut COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed 2008 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Thormann et al. 2008 Quantum Chemical Calculation (dpeaa)DE-He213 Chemical Calculation (dpeaa)DE-He213 Surface Polarity (dpeaa)DE-He213 Drug Candidate (dpeaa)DE-He213 Virtual Screening (dpeaa)DE-He213 Klamt, A aut Wichmann, K aut Wittekindt, C aut Almstetter, M aut Enthalten in Chemistry central journal London : BioMed Central, 2007 2(2008), Suppl 1 vom: 26. März (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:2 year:2008 number:Suppl 1 day:26 month:03 https://dx.doi.org/10.1186/1752-153X-2-S1-P15 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2008 Suppl 1 26 03
allfields_unstemmed	10.1186/1752-153X-2-S1-P15 doi (DE-627)SPR030124735 (SPR)1752-153X-2-S1-P15-e DE-627 ger DE-627 rakwb eng Thormann, M verfasserin aut COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed 2008 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Thormann et al. 2008 Quantum Chemical Calculation (dpeaa)DE-He213 Chemical Calculation (dpeaa)DE-He213 Surface Polarity (dpeaa)DE-He213 Drug Candidate (dpeaa)DE-He213 Virtual Screening (dpeaa)DE-He213 Klamt, A aut Wichmann, K aut Wittekindt, C aut Almstetter, M aut Enthalten in Chemistry central journal London : BioMed Central, 2007 2(2008), Suppl 1 vom: 26. März (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:2 year:2008 number:Suppl 1 day:26 month:03 https://dx.doi.org/10.1186/1752-153X-2-S1-P15 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2008 Suppl 1 26 03
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allfieldsSound	10.1186/1752-153X-2-S1-P15 doi (DE-627)SPR030124735 (SPR)1752-153X-2-S1-P15-e DE-627 ger DE-627 rakwb eng Thormann, M verfasserin aut COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed 2008 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Thormann et al. 2008 Quantum Chemical Calculation (dpeaa)DE-He213 Chemical Calculation (dpeaa)DE-He213 Surface Polarity (dpeaa)DE-He213 Drug Candidate (dpeaa)DE-He213 Virtual Screening (dpeaa)DE-He213 Klamt, A aut Wichmann, K aut Wittekindt, C aut Almstetter, M aut Enthalten in Chemistry central journal London : BioMed Central, 2007 2(2008), Suppl 1 vom: 26. März (DE-627)525475176 (DE-600)2272440-0 1752-153X nnns volume:2 year:2008 number:Suppl 1 day:26 month:03 https://dx.doi.org/10.1186/1752-153X-2-S1-P15 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2003 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2008 Suppl 1 26 03
language	English
source	Enthalten in Chemistry central journal 2(2008), Suppl 1 vom: 26. März volume:2 year:2008 number:Suppl 1 day:26 month:03
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author	Thormann, M
spellingShingle	Thormann, M misc Quantum Chemical Calculation misc Chemical Calculation misc Surface Polarity misc Drug Candidate misc Virtual Screening COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
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topic_title	COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed Quantum Chemical Calculation (dpeaa)DE-He213 Chemical Calculation (dpeaa)DE-He213 Surface Polarity (dpeaa)DE-He213 Drug Candidate (dpeaa)DE-He213 Virtual Screening (dpeaa)DE-He213
topic	misc Quantum Chemical Calculation misc Chemical Calculation misc Surface Polarity misc Drug Candidate misc Virtual Screening
topic_unstemmed	misc Quantum Chemical Calculation misc Chemical Calculation misc Surface Polarity misc Drug Candidate misc Virtual Screening
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title	COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
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title_full	COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
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author_browse	Thormann, M Klamt, A Wichmann, K Wittekindt, C Almstetter, M
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doi_str_mv	10.1186/1752-153X-2-S1-P15
title_sort	cosmosim and cosmofrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
title_auth	COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
abstract	© Thormann et al. 2008
abstractGer	© Thormann et al. 2008
abstract_unstemmed	© Thormann et al. 2008
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container_issue	Suppl 1
title_short	COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
url	https://dx.doi.org/10.1186/1752-153X-2-S1-P15
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up_date	2024-07-03T14:06:56.184Z
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