Q: Sub Index for SYBYL and UNITY Documentation

Q chromosome

• Genetic Structure

QCPE

MOPAC

• Access MOPAC in SYBYL

edit the Z-matrix

• AMPAC at the Command Line

• Access MOPAC in SYBYL

generate MO plots

• Access MOPAC in SYBYL

labels

• Access MOPAC in SYBYL

retrieve results

• Access MOPAC in SYBYL

run other version

• Access MOPAC in SYBYL

setup calculation

• Access MOPAC in SYBYL

MOPAC

TAILOR MO_PLOTS

• TAILOR SET MO_PLOTS

TAILOR MOPAC

• TAILOR SET MOPAC

QFIT flexible search column

• Flexible 3D Searches

QQ plot

• Graph Analysis Results

QSAR

access in SYBYL

• Access QSAR Analysis Tools in SYBYL

aligning molecules

• Align Molecules for QSAR/CoMFA

analysis

factor analysis

• Factor Analysis

Jarvis-Patrick clustering

• Jarvis-Patrick Clustering

Partial Least Squares

• Partial Least Squares/SAMPLS

Reciprocal Nearest Neighbor clustering

• Reciprocal Nearest Neighbors (RNN)

ANALYSIS

PLS

TAILOR

• TAILOR SET PLS

TAILOR

• TAILOR SET QSAR_ANALYSIS

FACTOR

• TAILOR SET FACTOR

hierarchical cluster

• TAILOR SET HIER

SIMCA

• TAILOR SET SIMCA

COMFA

TAILOR

• TAILOR SET COMFA

definition

• The QSAR Table

dendrogram

• Hierarchical Clustering Output

dialogs

appending hierarchical cluster column

• Generate Hierarchical Cluster Column(s)

CoMFA column definition

• Add CoMFA Column

CoMFA region

• Define a Region via the Menubar

EVA column definition

• Add New EVA Column

factor analysis

• Factor Analysis via the Menubar

hierarchical clustering

• Hierarchical Clustering via the Menubar

Jarvis-Patrick clustering

• Jarvis-Patrick Clustering via the Menubar

PLS analysis

• Access PLS/SAMPLS Analysis via the Menubar

region focussing

• Region Focusing via the Menubar

scrambling stability test

• Access Progressive Scrambling via the Menubar

SIMCA analysis

• Access SIMCA via the Menubar

view CoMFA

• View CoMFA Results

view eva

• Graph EVA Profiles

EVA theory

• EVA

general analysis notes

• Concepts Associated With QSAR Analysis

general equation

• Terminology of Multiple Regression and PLS

optimization tutorial

• Optimizing QSAR Tutorial

optimize dialog

• Optimize QSAR via the Menubar

Partial Least Squares

theory

• Theoretical Introduction to Partial Least Squares (PLS)

tutorial

• SAMPLS Tutorial

PLS theory

• Algorithmic Description of Partial Least Squares

references

• QSAR Background Reading

table

• The QSAR Table

table diagram

• The QSAR Table

TAILOR

EXAMINE

• TAILOR SET EXAMINE

FACTOR

• TAILOR SET FACTOR

GRAPHS

• TAILOR SET GRAPHS

QSAR_ANALYSIS

• TAILOR SET QSAR_ANALYSIS

SIMCA

• TAILOR SET SIMCA

TABLE

• TAILOR SET TABLE

techniques

• QSAR Techniques

theory

CoMFA

• Theoretical Introduction to CoMFA

crossvalidation

• Crossvalidation

factor analysis

• Theoretical Introduction to Factor Analysis

hierarchical clustering

• Theoretical Introduction to Hierarchical Clustering

Partial Least Squares

• Theoretical Introduction to Partial Least Squares (PLS)

progressive scrambling

• Theoretical Introduction to Progressive Scrambling

SIMCA analysis

• Theoretical Introduction to SIMCA

tutorials

• QSAR Tutorials

alignment rule

data record in mol2 file

• @<TRIPOS>QSAR_ALIGN_RULE

QSAR command

• QSAR Command List

ANALYSIS

ATTACH

• Attach Another Analysis to Current Table

BATCH

• Execute Batch Control File

DELETE

• Delete Analysis

DIRECTORY

• List Analyses

DO

FACTOR

• Factor Analysis via Command Line

HIERARCHICAL

• Hierarchical Clustering via Command Line

JARVIS-PATRICK

• Jarvis-Patrick Clustering via Command Line

PLS

• Access PLS via Command Line

RNN

• Access RNN in SYBYL

SIMCA

• Access SIMCA via Command Line

FREE

• Free Analysis Memory

GRAPH

• Graph Analysis Results

LIST

• List QSAR Values

PREDICT

• Predict Target Property Values

REDO

• Repeat QSAR Analysis

RENAME

• Rename Analysis

RSQUARED_PREDICT

• Calculate Predictive r2 Value of Two Columns

SCRAMBLE

• Access Progressive Scrambling via Command Line

SELECT

• Select Analysis

COMFA

• Analyze CoMFA Results

ALIGNMENT

• CoMFA Alignment

FIELD

• CoMFA Fields

REGION

• Define a Region via Command Line

ENDMODE

• Access QSAR Analysis Tools in SYBYL

EVA

EXTRACT

• Extract Molecule's EVA Profile

GRAPH

• Graph EVA Profiles

LIST

• Retrieve EVA Profile from Current Analysis

• List EVA Values

SHOW

• Show Description of EVA Profile

OPTIMIZE

• Optimize QSAR via Command Line

RESIDUALS

• Append PLS Residuals to Column

TABLE

• Access QSAR Analysis Tools in SYBYL

• Manage QSAR Results Table

Quantum chemistry

References

• Molecular Orbital Theory

Quartered screen mode

• STATIC

Quartet

• Tuplet Definition

Quartimax rotation

factor analysis

• Factor Rotation

Queries

format

2D search

• Query Format for Searches

3D search

• 3D Queries

exact match search

• Match and Subset Queries

flexible search

• Flex Queries

similarity search

• 2D Similarity Queries

subset search

• Match and Subset Queries

generate from alignment

• Generate UNITY Query from Alignment

save in UNITY

• Save Queries

edit

• Edit Template

generate from alignment

• Generate UNITY Query from Alignment

generate from alignment

• Generate UNITY Query from Alignment

Query

create

• Create Query

Query expressions

• Retrieve Molecules

Queuing searches

• Search Licensing and Queuing

Quick find

file formats

• Documented File Formats

Quick Reference

• Graphics Quick Reference

QUICKBOND command

• Bonds

Quit

Quit

• Exit SYBYL

mode in UNITY

• Connect/Disconnect Server

syb3dbserver command

• Access UNITY

UNITY

• Access UNITY

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Numerics A B C D E F G H I J K L M N O P Q R S Symbols T U V W X Z

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Links to individual Index Files:
• BASICS
• BIO
• CFX
• CONCORD
• CONFORT
• CRYSTAL
• CSCORE
• DISCOTECH
• DISTILL
• DOCKING
• DVS ADDONS
• FORCE FIELD
• FUGUE
• GALAHAD
• GASP
• GENSURF
• GRAPHICS
• HQSAR
• INSTALL_ADMIN
• LEGION
• MOLCAD
• MOLCADPLUS
• MSS
• ORCH
• OVERLAY
• PROTABLE
• QSAR
• QUANTUM
• RACHEL
• SEARCH
• SELECTOR
• SIMILARITY
• SITEID
• SLN
• SLN_AUSPYX
• SPL
• STEREOPLEX
• TAILOR
• TOOLKIT
• TOPCOMFA
• TUPLETS
• UNIFIED_BOOK
• UNITY

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Copyright © 2007, Tripos, Inc. All rights reserverd.