DE592421T1 - Vergleichende molekulare feldzerlegung. - Google Patents

Vergleichende molekulare feldzerlegung.

Info

Publication number
DE592421T1
DE592421T1 DE0592421T DE91913619T DE592421T1 DE 592421 T1 DE592421 T1 DE 592421T1 DE 0592421 T DE0592421 T DE 0592421T DE 91913619 T DE91913619 T DE 91913619T DE 592421 T1 DE592421 T1 DE 592421T1
Authority
DE
Germany
Prior art keywords
molecular field
comparative molecular
field disassembly
disassembly
comparative
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Pending
Application number
DE0592421T
Other languages
English (en)
Inventor
Richard D Cramer Iii
Svante B Wold
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Tripos Associates Inc
Original Assignee
Tripos Associates Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Tripos Associates Inc filed Critical Tripos Associates Inc
Publication of DE592421T1 publication Critical patent/DE592421T1/de
Pending legal-status Critical Current

Links

Classifications

    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07KPEPTIDES
    • C07K1/00General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
    • GPHYSICS
    • G06COMPUTING; CALCULATING OR COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F30/00Computer-aided design [CAD]
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30Prediction of properties of chemical compounds, compositions or mixtures
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/80Data visualisation
    • GPHYSICS
    • G06COMPUTING; CALCULATING OR COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F2111/00Details relating to CAD techniques
    • G06F2111/08Probabilistic or stochastic CAD
DE0592421T 1991-06-17 1991-06-17 Vergleichende molekulare feldzerlegung. Pending DE592421T1 (de)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
PCT/US1991/004292 WO1992022875A1 (en) 1991-06-17 1991-06-17 COMPARATIVE MOLECULAR FIELD ANALYSIS (CoMFA)

Publications (1)

Publication Number Publication Date
DE592421T1 true DE592421T1 (de) 1994-08-18

Family

ID=1239656

Family Applications (2)

Application Number Title Priority Date Filing Date
DE0592421T Pending DE592421T1 (de) 1991-06-17 1991-06-17 Vergleichende molekulare feldzerlegung.
DE69125399T Expired - Lifetime DE69125399T2 (de) 1991-06-17 1991-06-17 Vergleichende molekulare feldanalyse

Family Applications After (1)

Application Number Title Priority Date Filing Date
DE69125399T Expired - Lifetime DE69125399T2 (de) 1991-06-17 1991-06-17 Vergleichende molekulare feldanalyse

Country Status (7)

Country Link
US (2) US5025388A (de)
EP (1) EP0592421B1 (de)
JP (1) JPH06503908A (de)
DE (2) DE592421T1 (de)
DK (1) DK0592421T3 (de)
GB (1) GB2266391A (de)
WO (1) WO1992022875A1 (de)

Families Citing this family (138)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5025388A (en) * 1988-08-26 1991-06-18 Cramer Richard D Iii Comparative molecular field analysis (CoMFA)
US5260882A (en) * 1991-01-02 1993-11-09 Rohm And Haas Company Process for the estimation of physical and chemical properties of a proposed polymeric or copolymeric substance or material
US5200910A (en) * 1991-01-30 1993-04-06 The Board Of Trustees Of The Leland Stanford University Method for modelling the electron density of a crystal
JP2565005B2 (ja) * 1991-03-08 1996-12-18 富士通株式会社 異種結晶の合成装置
US5241470A (en) * 1992-01-21 1993-08-31 The Board Of Trustees Of The Leland Stanford University Prediction of protein side-chain conformation by packing optimization
US6370479B1 (en) * 1992-02-06 2002-04-09 Fujitsu Limited Method and apparatus for extracting and evaluating mutually similar portions in one-dimensional sequences in molecules and/or three-dimensional structures of molecules
US5353236A (en) * 1992-04-23 1994-10-04 The Board Of Trustees Of The Leland Stanford University High-resolution crystallographic modelling of a macromolecule
US5420805A (en) * 1992-05-05 1995-05-30 The Trustees Of Columbia University In The City Of New York Method and apparatus for designing molecular structures using an analytical solution for effective born radii
US5742290A (en) * 1992-09-03 1998-04-21 Fujitsu Limited Molecular orbital modeling system with an improved function processor
US5581476A (en) 1993-01-28 1996-12-03 Amgen Inc. Computer-based methods and articles of manufacture for preparing G-CSF analogs
US5524188A (en) * 1993-03-01 1996-06-04 Halpern Software, Inc. Viewing three dimensional objects by rotational wobble about multiple axes
US5453937A (en) * 1993-04-28 1995-09-26 Immunex Corporation Method and system for protein modeling
US5884230A (en) * 1993-04-28 1999-03-16 Immunex Corporation Method and system for protein modeling
WO1994028504A1 (en) * 1993-05-21 1994-12-08 Arris Pharmaceutical A machine-learning approach to modeling biological activity for molecular design and to modeling other characteristics
US5703792A (en) * 1993-05-21 1997-12-30 Arris Pharmaceutical Corporation Three dimensional measurement of molecular diversity
US5434796A (en) * 1993-06-30 1995-07-18 Daylight Chemical Information Systems, Inc. Method and apparatus for designing molecules with desired properties by evolving successive populations
US5495423A (en) * 1993-10-25 1996-02-27 Trustees Of Boston University General strategy for vaccine and drug design
US5553004A (en) * 1993-11-12 1996-09-03 The Board Of Trustees Of The Leland Stanford Jr. University Constrained langevin dynamics method for simulating molecular conformations
AU1297995A (en) * 1993-11-26 1995-06-13 Lawrence B Hendry Design of drugs involving receptor-ligand-dna interactions
JP3235763B2 (ja) * 1994-02-28 2001-12-04 富士通株式会社 共通構造抽出装置
US5577239A (en) * 1994-08-10 1996-11-19 Moore; Jeffrey Chemical structure storage, searching and retrieval system
US5687090A (en) * 1994-09-01 1997-11-11 Aspen Technology, Inc. Polymer component characterization method and process simulation apparatus
US5463564A (en) 1994-09-16 1995-10-31 3-Dimensional Pharmaceuticals, Inc. System and method of automatically generating chemical compounds with desired properties
US5740072A (en) * 1994-10-07 1998-04-14 The Trustees Of Columbia Universuty In The City Of New York Rapidly convergent method for boltzmann-weighted ensemble generation in free energy simulations
JPH08123781A (ja) * 1994-10-20 1996-05-17 Fujitsu Ltd 3次元化合物構造式の周辺空間情報を数値データへ変換する方法、並びに、3次元化合物構造式とその周辺空間との相互作用を数値データへ変換する方法
US5612894A (en) * 1995-02-08 1997-03-18 Wertz; David H. System and method for molecular modeling utilizing a sensitivity factor
US5621671A (en) * 1995-03-17 1997-04-15 The United States Of America As Represented By The Secretary Of The Navy Digital simulation of organismal growth
US6341256B1 (en) 1995-03-31 2002-01-22 Curagen Corporation Consensus configurational bias Monte Carlo method and system for pharmacophore structure determination
US5657255C1 (en) * 1995-04-14 2002-06-11 Interleukin Genetics Inc Hierarchic biological modelling system and method
US5784294A (en) * 1995-06-09 1998-07-21 International Business Machines Corporation System and method for comparative molecular moment analysis (CoMMA)
US5978740A (en) * 1995-08-09 1999-11-02 Vertex Pharmaceuticals Incorporated Molecules comprising a calcineurin-like binding pocket and encoded data storage medium capable of graphically displaying them
US6266622B1 (en) * 1995-12-13 2001-07-24 Regents Of The University Of California Nuclear receptor ligands and ligand binding domains
US6185506B1 (en) * 1996-01-26 2001-02-06 Tripos, Inc. Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors
EP0892963A1 (de) * 1996-01-26 1999-01-27 David E. Patterson Verfahren zum erstellen und durchsuchen einer virtuellen molekyl-biblothek mit hilfe von molekylarstruktur-deskriptoren
US6622094B2 (en) * 1996-02-15 2003-09-16 The Trustees Of Columbia University In The City Of New York Method for determining relative energies of two or more different molecules
EA001095B1 (ru) * 1996-03-22 2000-10-30 Юниверсити Оф Гуелф Компьютерный способ создания химических структур, имеющих общие функциональные характеристики
US6108635A (en) * 1996-05-22 2000-08-22 Interleukin Genetics, Inc. Integrated disease information system
US5989835A (en) 1997-02-27 1999-11-23 Cellomics, Inc. System for cell-based screening
US5751605A (en) * 1996-08-15 1998-05-12 Tripos, Inc. Molecular hologram QSAR
GB2317030A (en) * 1996-08-30 1998-03-11 Xenova Ltd Defining a pharmacophore for the design of MDR modulators
CA2270527A1 (en) 1996-11-04 1998-05-14 3-Dimensional Pharmaceuticals, Inc. System, method, and computer program product for the visualization and interactive processing and analysis of chemical data
US6571227B1 (en) 1996-11-04 2003-05-27 3-Dimensional Pharmaceuticals, Inc. Method, system and computer program product for non-linear mapping of multi-dimensional data
US6453246B1 (en) 1996-11-04 2002-09-17 3-Dimensional Pharmaceuticals, Inc. System, method, and computer program product for representing proximity data in a multi-dimensional space
US6219440B1 (en) 1997-01-17 2001-04-17 The University Of Connecticut Method and apparatus for modeling cellular structure and function
US5866343A (en) * 1997-04-15 1999-02-02 Universite De Montreal Energetically favorable binding site determination between two molecules
US5962669A (en) * 1997-06-02 1999-10-05 The Regents Of The University Of California Nucleic acid encoding prion protein variant
EP0986396A4 (de) 1997-06-02 2003-05-02 Univ California Prionproteinmodulator-faktor ppmf und prion-unempfindliche tiere
US6829540B1 (en) 1997-08-22 2004-12-07 Purdue Research Foundation Drug discovery using multiple membrane mimetic affinities
EP1010112B1 (de) 1997-09-05 2002-06-26 Accelrys Inc. Interaktionsmodellierung mit atomaren parametern und anisotropischer dipol-polarisierbarkeit
US6051029A (en) * 1997-10-31 2000-04-18 Entelos, Inc. Method of generating a display for a dynamic simulation model utilizing node and link representations
US6069629A (en) * 1997-11-25 2000-05-30 Entelos, Inc. Method of providing access to object parameters within a simulation model
US6078739A (en) * 1997-11-25 2000-06-20 Entelos, Inc. Method of managing objects and parameter values associated with the objects within a simulation model
US6708141B1 (en) 1998-01-16 2004-03-16 The University Of Connecticut Method for modeling cellular structure and function
GB9803466D0 (en) 1998-02-19 1998-04-15 Chemical Computing Group Inc Discrete QSAR:a machine to determine structure activity and relationships for high throughput screening
US7110888B1 (en) 1998-02-26 2006-09-19 Openeye Scientific Software, Inc. Method for determining a shape space for a set of molecules using minimal metric distances
IL138100A0 (en) * 1998-02-26 2001-10-31 Openeye Scient Inc Method and apparatus for evaluating molecular similarity
US20020042423A1 (en) * 1998-04-29 2002-04-11 John R. Richert Methods for identifying compounds that bind to hla molecules and use of such compounds as hla-agonists or antagonists
US6839634B1 (en) 1998-09-11 2005-01-04 The Institute Of Physical And Chemical Research Method for predicting reaction characteristics of molecules
DE69924645T2 (de) * 1998-11-13 2006-03-02 Cellomics, Inc. Verfahren und system zum effizienten gewinnen und speichern von experimentellen daten
WO2000045334A1 (en) * 1999-01-27 2000-08-03 The Scripps Research Institute Protein modeling tools
US7912689B1 (en) * 1999-02-11 2011-03-22 Cambridgesoft Corporation Enhancing structure diagram generation through use of symmetry
US7295931B1 (en) * 1999-02-18 2007-11-13 Cambridgesoft Corporation Deriving fixed bond information
AU3001500A (en) * 1999-02-19 2000-09-04 Bioreason, Inc. Method and system for artificial intelligence directed lead discovery through multi-domain clustering
US6904423B1 (en) 1999-02-19 2005-06-07 Bioreason, Inc. Method and system for artificial intelligence directed lead discovery through multi-domain clustering
US6349265B1 (en) * 1999-03-24 2002-02-19 International Business Machines Corporation Method and apparatus for mapping components of descriptor vectors for molecular complexes to a space that discriminates between groups
US7356415B1 (en) 1999-03-24 2008-04-08 International Business Machines Corporation Similarity searching of molecules based upon descriptor vectors characterizing molecular regions
CA2370283C (en) 1999-04-16 2012-07-17 Entelos, Inc. Method and apparatus for conducting linked simulation operations utilizing a computer-based system model
US6343257B1 (en) * 1999-04-23 2002-01-29 Peptor Ltd. Identifying pharmacophore containing combinations of scaffold molecules and substituents from a virtual library
WO2000065421A2 (en) * 1999-04-26 2000-11-02 Novascreen Biosciences Corporation Receptor selectivity mapping
US6646110B2 (en) * 2000-01-10 2003-11-11 Maxygen Holdings Ltd. G-CSF polypeptides and conjugates
US6555660B2 (en) * 2000-01-10 2003-04-29 Maxygen Holdings Ltd. G-CSF conjugates
US6831158B2 (en) * 2000-01-10 2004-12-14 Maxygen Holdings Ltd. G-CSF conjugates
WO2001055951A2 (en) 2000-01-25 2001-08-02 Cellomics, Inc. Method and system for automated inference of physico-chemical interaction knowl edge
US6898533B1 (en) 2000-02-01 2005-05-24 The United States Of America As Represented By The Department Of Health And Human Services Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties
WO2001057495A2 (en) * 2000-02-01 2001-08-09 The Government Of The United States Of America As Represented By The Secretary, Department Of Health & Human Services Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties
US7416524B1 (en) 2000-02-18 2008-08-26 Johnson & Johnson Pharmaceutical Research & Development, L.L.C. System, method and computer program product for fast and efficient searching of large chemical libraries
US6625585B1 (en) 2000-02-18 2003-09-23 Bioreason, Inc. Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering
US6671627B2 (en) 2000-02-29 2003-12-30 3-D Pharmaceuticals, Inc. Method and computer program product for designing combinatorial arrays
US6907350B2 (en) * 2000-03-13 2005-06-14 Chugai Seiyaku Kabushiki Kaisha Method, system and apparatus for handling information on chemical substances
AU2001247627A1 (en) 2000-03-22 2001-10-03 3-Dimensional Pharmaceuticals, Inc. System, method, and computer program product for representing object relationships in a multidimensional space
WO2001075790A2 (en) 2000-04-03 2001-10-11 3-Dimensional Pharmaceuticals, Inc. Method, system, and computer program product for representing object relationships in a multidimensional space
US7272509B1 (en) 2000-05-05 2007-09-18 Cambridgesoft Corporation Managing product information
US7356419B1 (en) 2000-05-05 2008-04-08 Cambridgesoft Corporation Deriving product information
US20020164348A1 (en) * 2000-05-24 2002-11-07 Karla Kirkegaard Inhibitors of viral infection
US20020025535A1 (en) * 2000-06-15 2002-02-28 Diller David J. Prioritization of combinatorial library screening
AU2001286601A1 (en) * 2000-08-22 2002-03-04 Dimitris K. Agrafiotis Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks
US6813615B1 (en) 2000-09-06 2004-11-02 Cellomics, Inc. Method and system for interpreting and validating experimental data with automated reasoning
AU2001292740A1 (en) * 2000-09-20 2002-04-02 Dimitris K. Agrafiotis Method, system, and computer program product for encoding and building products of a virtual combinatorial library
WO2002036744A2 (en) * 2000-11-02 2002-05-10 Protein Mechanics, Inc. Method for residual form in molecular modeling
US7054757B2 (en) * 2001-01-29 2006-05-30 Johnson & Johnson Pharmaceutical Research & Development, L.L.C. Method, system, and computer program product for analyzing combinatorial libraries
WO2002088662A2 (en) * 2001-04-25 2002-11-07 Bristol-Myers Squibb Company Method of molecular structure recognition
US7727713B2 (en) 2001-06-20 2010-06-01 Nuevolution A/S Templated molecules and methods for using such molecules
BR0211071A (pt) * 2001-07-11 2004-12-21 Maxygen Holdings Ltd Conjugado polipeptìdico apresentando atividade de g-csf, método para preparar um conjugado de g-csf, composição, método para tratar um mamìfero sofrendo de um nìvel neutrofìlico insuficiente, e, uso do conjugado polipeptìdico
US7516018B2 (en) * 2001-07-25 2009-04-07 Tripos, L.P. Structural unit analysis
EP1523723A2 (de) * 2001-07-31 2005-04-20 APT Therapeutics, Inc. Verfahren zum berechnen einer charakteristischen eigenschaft eines moleküls durch korrelationsanalyse
US20030148386A1 (en) * 2001-11-09 2003-08-07 North Dakota State University Method for drug design using comparative molecular field analysis (CoMFA) extended for multi-mode/multi-species ligand binding and disposition
EP1502104A4 (de) * 2002-02-25 2006-09-13 Richard D Cramer Die topomere ausrichtung molekularer fragmente nutzende vergleichende feldanalyse (comfa)
US6671628B2 (en) 2002-03-04 2003-12-30 Chemnavigator, Inc. Methods for identifying a molecule that may bind to a target molecule
US7996156B2 (en) * 2002-03-07 2011-08-09 The United States Of America As Represented By The Secretary, Department Of Health And Human Services Methods for predicting properties of molecules
NZ535144A (en) 2002-03-15 2006-03-31 Nuevolution As An improved method for synthesising templated molecules
AU2003231879A1 (en) * 2002-05-28 2003-12-12 The Trustees Of The University Of Pennsylvania Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers
EP1539980B1 (de) 2002-08-01 2016-02-17 Nuevolution A/S MEHRSTUFENSYNTHESE VON MIT MATRIZEN ASSOZIIERTE MOLEKüLEN
US20040034481A1 (en) * 2002-08-16 2004-02-19 Hurst John R. Methods for identifying a prospective binding site on a target molecule and for characterizing a site on a target molecule
GB2392746B (en) * 2002-09-06 2004-07-28 Cresset Biomolecular Discovery Comparison of molecules using field points
EP1560133A4 (de) * 2002-10-07 2009-06-10 Nippon Zoki Pharmaceutical Co DREIDIMENSIONALES STRUKTUR-AKTIVITûT-KORRELATIONSVERFAHREN
DK3299463T3 (da) 2002-10-30 2020-12-07 Nuevolution As Enzymatisk kodning
US9121110B2 (en) 2002-12-19 2015-09-01 Nuevolution A/S Quasirandom structure and function guided synthesis methods
US20040186815A1 (en) * 2002-12-20 2004-09-23 Stockfisch Thomas P. Method for accommodating missing descriptor and property data while training neural network models
US7826979B2 (en) * 2003-02-14 2010-11-02 Vertex Pharmaceuticals Incorporated Method of modeling complex formation between a query ligan and a target molecule
EP1597395A2 (de) 2003-02-21 2005-11-23 Nuevolution A/S Methode zur herstellung einer bibliothek der zweiten generation
ATE447626T1 (de) 2003-09-18 2009-11-15 Nuevolution As Methode zur gewinnung struktureller informationen kodierter moleküle und zur selektion von verbindungen
US20060052943A1 (en) * 2004-07-28 2006-03-09 Karthik Ramani Architectures, queries, data stores, and interfaces for proteins and drug molecules
US20060053171A1 (en) * 2004-09-03 2006-03-09 Biowisdom Limited System and method for curating one or more multi-relational ontologies
US20060053173A1 (en) * 2004-09-03 2006-03-09 Biowisdom Limited System and method for support of chemical data within multi-relational ontologies
US7493333B2 (en) * 2004-09-03 2009-02-17 Biowisdom Limited System and method for parsing and/or exporting data from one or more multi-relational ontologies
US20060053174A1 (en) * 2004-09-03 2006-03-09 Bio Wisdom Limited System and method for data extraction and management in multi-relational ontology creation
US20060053172A1 (en) * 2004-09-03 2006-03-09 Biowisdom Limited System and method for creating, editing, and using multi-relational ontologies
US20060053175A1 (en) * 2004-09-03 2006-03-09 Biowisdom Limited System and method for creating, editing, and utilizing one or more rules for multi-relational ontology creation and maintenance
US20060053382A1 (en) * 2004-09-03 2006-03-09 Biowisdom Limited System and method for facilitating user interaction with multi-relational ontologies
US7505989B2 (en) 2004-09-03 2009-03-17 Biowisdom Limited System and method for creating customized ontologies
US7496593B2 (en) 2004-09-03 2009-02-24 Biowisdom Limited Creating a multi-relational ontology having a predetermined structure
US20060074833A1 (en) * 2004-09-03 2006-04-06 Biowisdom Limited System and method for notifying users of changes in multi-relational ontologies
JP4688467B2 (ja) * 2004-10-15 2011-05-25 株式会社菱化システム 受容体−リガンド安定複合体構造探索方法
US7797144B2 (en) * 2005-03-18 2010-09-14 Eve Zoebisch Molecular modeling method and system
AU2006254543A1 (en) 2005-06-01 2006-12-07 Maxygen Holdings Ltd. PEGylated G-CSF polypeptides and methods of producing same
ATE490318T1 (de) * 2005-12-01 2010-12-15 Nuevolution As Enzymvermittelnde kodierungsmethoden für eine effiziente synthese von grossen bibliotheken
US7860657B2 (en) * 2006-03-24 2010-12-28 Cramer Richard D Forward synthetic synthon generation and its useto identify molecules similar in 3 dimensional shape to pharmaceutical lead compounds
US20090228463A1 (en) * 2008-03-10 2009-09-10 Cramer Richard D Method for Searching Compound Databases Using Topomeric Shape Descriptors and Pharmacophoric Features Identified by a Comparative Molecular Field Analysis (CoMFA) Utilizing Topomeric Alignment of Molecular Fragments
US8374837B2 (en) * 2008-06-04 2013-02-12 Silicos Nv Descriptors of three-dimensional objects, uses thereof and a method to generate the same
BRPI1008429A2 (pt) 2009-02-13 2020-08-25 X-Chem, Inc. métodos de criação e de triagem de bibliotecas de dna codificado.
CA2832672A1 (en) 2010-04-16 2011-10-20 Nuevolution A/S Bi-functional complexes and methods for making and using such complexes
EP2447865A1 (de) 2010-10-29 2012-05-02 COSMOlogic GmbH & Co. KG Molekularfeldanalyse auf Basis von kosmischen Polarisierungsdichten
EP3828271A1 (de) 2011-09-07 2021-06-02 X-Chem, Inc. Verfahren zur markierung dna-codierter bibliotheken
CN102682209B (zh) * 2012-05-03 2014-11-05 桂林理工大学 有机污染物定量结构活性相关建模的变量筛选方法
ES2675167T3 (es) 2012-07-13 2018-07-09 X-Chem, Inc. Bibliotecas codificadas por ADN que tienen enlaces oligonucleotídicos codificantes no legibles por polimerasas
US8854361B1 (en) * 2013-03-13 2014-10-07 Cambridgesoft Corporation Visually augmenting a graphical rendering of a chemical structure representation or biological sequence representation with multi-dimensional information
CN103150482B (zh) * 2013-03-28 2016-03-16 湖南中烟工业有限责任公司 一种基于pls确定烘丝工艺参数影响因子的方法
JP6273470B2 (ja) * 2013-05-10 2018-02-07 ナノフォトン株式会社 分子振動の表示方法

Family Cites Families (12)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US4473889A (en) * 1981-09-11 1984-09-25 Leeds & Northrup Company Remote correlation of sequence of events
US4461619A (en) * 1981-12-29 1984-07-24 Medical College Of Georgia Research Inst. Method of predicting biological activity of compounds by nucleic acid models
JPS58175077A (ja) * 1982-04-07 1983-10-14 Nippon Kagaku Gijutsu Joho Center 化合物の立体化学情報記憶方法及び装置
US4642762A (en) * 1984-05-25 1987-02-10 American Chemical Society Storage and retrieval of generic chemical structure representations
US4704692A (en) * 1986-09-02 1987-11-03 Ladner Robert C Computer based system and method for determining and displaying possible chemical structures for converting double- or multiple-chain polypeptides to single-chain polypeptides
US4835708A (en) * 1987-07-06 1989-05-30 Spectra Physics, Inc. Method and apparatus for analysis of chromatograms using cross-correlation and moment analysis
JPH01159767A (ja) * 1987-12-16 1989-06-22 Toshiba Corp 化学分子構造表示装置
US5025388A (en) * 1988-08-26 1991-06-18 Cramer Richard D Iii Comparative molecular field analysis (CoMFA)
CA1340288C (en) * 1988-09-02 1998-12-29 Robert Charles Ladner Generation and selection of novel binding proteins
EP0431189A4 (en) * 1989-06-30 1992-04-22 Hitachi, Ltd. Method of assisting material design and apparatus therefor
JPH0353380A (ja) * 1989-07-20 1991-03-07 Fuji Photo Film Co Ltd 化合物の対称性の処理方法
SE470430B (sv) * 1989-09-18 1994-02-21 Tore Brinck Sätt att utnyttja kvantkemiska metoder vid molekyl-design

Also Published As

Publication number Publication date
JPH06503908A (ja) 1994-04-28
US5025388A (en) 1991-06-18
GB9315049D0 (en) 1993-09-01
WO1992022875A1 (en) 1992-12-23
DE69125399T2 (de) 1997-10-23
EP0592421A1 (de) 1994-04-20
DK0592421T3 (da) 1997-10-06
EP0592421A4 (de) 1994-08-31
DE69125399D1 (de) 1997-04-30
EP0592421B1 (de) 1997-03-26
GB2266391A (en) 1993-10-27
US5307287A (en) 1994-04-26

Similar Documents

Publication Publication Date Title
DE592421T1 (de) Vergleichende molekulare feldzerlegung.
DE69203125T2 (de) Etikett.
FI921113A0 (fi) Foerfarande och anordning foer kontroll av pulsbreddsmodulatorns (pwm) omvandlare.
FI924077A0 (fi) Nya omaettade acykliska purin- och pyrimidinfosfonatderivat.
FI921135A0 (fi) Nya karbonsyraamider.
DZ1554A1 (fr) Steroïdes-esters nouveaux.
FI920472A (fi) Polymeriska skum.
FI920279A (fi) Nya sulfonylurea-foereningar.
FI921614A0 (fi) Nya herbicider.
FI923872A0 (fi) Nya bensopyranderivat.
FI921230A0 (fi) Floedesrulltransportoer utan floedes- tryck.
DE59203633D1 (de) Strichcode-System.
FI920802A0 (fi) Foerbaettrade jaestvektorer.
DE69205878T2 (de) Optischer Crossbarschalter.
FI922552A0 (fi) Nya kefemfoereningar.
FI914926A0 (fi) Poly(aryleter)skum producerat med vattenhaltigt expansionsmedel.
FI922425A0 (fi) Nya 14-kron-4-eterderivat.
FR2677680B1 (fr) Finisseur.
MX9201791A (es) Medicamentos.
FI923674A0 (fi) Nya herbicider.
ATE150883T1 (de) Vergleichende molekulare feldanalyse
FI911271A0 (fi) Framstaellningsfoerfarande foer elledande polymer.
DE69202910D1 (de) Schalter.
FI920878A0 (fi) Nya tetrahydrofuranmellanprodukter.
ES1017648Y (es) Exhibidor.