QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input...

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Transcript of QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input...

Page 1: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 2: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 3: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 4: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 5: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 6: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 7: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
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Page 10: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
Page 11: QSARbio.gnu.ac.kr/lecture/bi/pdf/QSAR.pdf · 2014-06-02 · QSAR 2- a. 2. QSAR Proparation of Input DATA (Rctcntion value, Structurcs) Calculation of Descriptors Statistical Analysis
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qsar/qspr descriptors

qsar/qspr descriptors

Quantitative Structure Activity Relationships QSAR and 3D-QSAR

Quantitative Structure Activity Relationships QSAR and 3D-QSAR

“Quantitative Structure Activity Relationship (QSAR) …qualitynano.eu/.../7.QSARs-Lecture_CeydaOksel.pdfQSAR (Quantitative Structure‐Activity Relationship) nano‐QSAR QSAR models

“Quantitative Structure Activity Relationship (QSAR) …qualitynano.eu/.../7.QSARs-Lecture_CeydaOksel.pdfQSAR (Quantitative Structure‐Activity Relationship) nano‐QSAR QSAR models

QSAR Webinar

QSAR Webinar

Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories.

Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories.

metodologie qsar

metodologie qsar

ResearchArticle 2D-QSAR and 3D-QSAR Analyses for EGFR ...downloads.hindawi.com/journals/bmri/2017/4649191.pdfResearchArticle 2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors ManmanZhao,1

ResearchArticle 2D-QSAR and 3D-QSAR Analyses for EGFR ...downloads.hindawi.com/journals/bmri/2017/4649191.pdfResearchArticle 2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors ManmanZhao,1

QSAR (Summary)

QSAR (Summary)

QSAR, QSPR, statistics, correlation, similarity & descriptors

QSAR, QSPR, statistics, correlation, similarity & descriptors

6th lecture Modern Methods in Drug Discovery WS10/11 1 More QSAR Problems: Which descriptors to use How to test/validate QSAR equations (continued from.

6th lecture Modern Methods in Drug Discovery WS10/11 1 More QSAR Problems: Which descriptors to use How to test/validate QSAR equations (continued from.

QSAR, QSPR, statistics, correlation, similarity & descriptors … · QSAR, QSPR, statistics, correlation, similarity & descriptors log( 1/ C) = k1 ⋅P1 +k2 ⋅P2 +K+kn ⋅Pn The

QSAR, QSPR, statistics, correlation, similarity & descriptors … · QSAR, QSPR, statistics, correlation, similarity & descriptors log( 1/ C) = k1 ⋅P1 +k2 ⋅P2 +K+kn ⋅Pn The

Chemometrics in QSAR

Chemometrics in QSAR

Inductive QSAR Descriptors. Distinguishing Compounds with ... · ‘inductive’ QSAR descriptors alone we have been able to achieve 93% correct separation of compounds with- and

Inductive QSAR Descriptors. Distinguishing Compounds with ... · ‘inductive’ QSAR descriptors alone we have been able to achieve 93% correct separation of compounds with- and

QSAR Design of Discovery Libraries for Solids Based on QSAR Models 2005 QSAR and rial Science

QSAR Design of Discovery Libraries for Solids Based on QSAR Models 2005 QSAR and rial Science

6th lecture Modern Methods in Drug Discovery WS07/08 1 More QSAR Problems: Which descriptors to use How to test/validate QSAR equations (continued from.

6th lecture Modern Methods in Drug Discovery WS07/08 1 More QSAR Problems: Which descriptors to use How to test/validate QSAR equations (continued from.

25 Quantum-Chemical Descriptors in QSAR/QSPR Modeling: …biocomputations.org/gubskaya/2010_QuantumBiochemistry... · 2014-02-02 · 25 Quantum-Chemical Descriptors in QSAR/QSPR Modeling:

25 Quantum-Chemical Descriptors in QSAR/QSPR Modeling: …biocomputations.org/gubskaya/2010_QuantumBiochemistry... · 2014-02-02 · 25 Quantum-Chemical Descriptors in QSAR/QSPR Modeling:

Statistical Modelling (Eds.) of Molecular Descriptors in ......Statistical Modelling of Molecular Descriptors in QSAR/QSPR is the second volume in the series Quantitative and Network

Statistical Modelling (Eds.) of Molecular Descriptors in ......Statistical Modelling of Molecular Descriptors in QSAR/QSPR is the second volume in the series Quantitative and Network

QSAR studies

QSAR studies

Roberto Todeschini Viviana Consonni Manuela Pavan Andrea Mauri Davide Ballabio Alberto Manganaro chemometrics molecular descriptors QSAR multicriteria.

Roberto Todeschini Viviana Consonni Manuela Pavan Andrea Mauri Davide Ballabio Alberto Manganaro chemometrics molecular descriptors QSAR multicriteria.

QSAR and 3D QSAR in drug design Part 1: methodology and 3D QSAR in drug design Part 1: methodology Hugo Kubinyi Classical QSAR methods describe structure-activity relationships in

QSAR and 3D QSAR in drug design Part 1: methodology and 3D QSAR in drug design Part 1: methodology Hugo Kubinyi Classical QSAR methods describe structure-activity relationships in