|
CA2012139C
(en)
*
|
1990-03-08 |
2004-01-13 |
Michael P. Teter |
Apparatus and method for predicting physical and chemical properties of materials
|
|
US5995908A
(en)
*
|
1990-09-20 |
1999-11-30 |
Margaret I. Pullen |
Integrated field modeling system
|
|
US5495423A
(en)
*
|
1993-10-25 |
1996-02-27 |
Trustees Of Boston University |
General strategy for vaccine and drug design
|
|
US5581657A
(en)
*
|
1994-07-29 |
1996-12-03 |
Zerox Corporation |
System for integrating multiple genetic algorithm applications
|
|
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
|
|
WO1996022574A1
(en)
*
|
1995-01-20 |
1996-07-25 |
The Board Of Trustees Of The Leland Stanford Junior University |
System and method for simulating operation of biochemical systems
|
|
US6219622B1
(en)
*
|
1995-03-24 |
2001-04-17 |
University Of Guelph |
Computational method for designing chemical structures having common functional characteristics
|
|
US5699268A
(en)
*
|
1995-03-24 |
1997-12-16 |
University Of Guelph |
Computational method for designing chemical structures having common functional characteristics
|
|
US6773877B2
(en)
|
1995-03-30 |
2004-08-10 |
Organ Recovery Systems, Inc. |
Methods of using ice-controlling molecules
|
|
JPH11509832A
(ja)
*
|
1995-03-30 |
1999-08-31 |
オーガン インコーポレイテッド |
新規氷−制御用分子およびその適用
|
|
US6303388B1
(en)
|
1995-03-30 |
2001-10-16 |
Organ Recovery Systems, Inc. |
Process for preparing novel ice-controlling molecules
|
|
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
|
|
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
|
|
WO1997027559A1
(en)
*
|
1996-01-26 |
1997-07-31 |
Patterson David E |
Method of creating and searching a molecular virtual library using validated molecular structure descriptors
|
|
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
|
|
WO1997036252A1
(en)
*
|
1996-03-22 |
1997-10-02 |
University Of Guelph |
Computational method for designing chemical structures having common functional characteristics
|
|
US5835382A
(en)
*
|
1996-04-26 |
1998-11-10 |
The Scripps Research Institute |
Small molecule mimetics of erythropoietin
|
|
US5864633A
(en)
*
|
1996-05-17 |
1999-01-26 |
Therma-Wave, Inc. |
Method and apparatus for optical data analysis
|
|
US5989835A
(en)
|
1997-02-27 |
1999-11-23 |
Cellomics, Inc. |
System for cell-based screening
|
|
US5946673A
(en)
*
|
1996-07-12 |
1999-08-31 |
Francone; Frank D. |
Computer implemented machine learning and control system
|
|
US6128607A
(en)
*
|
1996-07-12 |
2000-10-03 |
Nordin; Peter |
Computer implemented machine learning method and system
|
|
US5841947A
(en)
*
|
1996-07-12 |
1998-11-24 |
Nordin; Peter |
Computer implemented machine learning method and system
|
|
US5854992A
(en)
*
|
1996-09-26 |
1998-12-29 |
President And Fellows Of Harvard College |
System and method for structure-based drug design that includes accurate prediction of binding free energy
|
|
US5781699A
(en)
*
|
1996-10-21 |
1998-07-14 |
Maxtor Corporation |
Method for optimization of channel parameters in a data storage device
|
|
US6499022B1
(en)
|
1996-10-21 |
2002-12-24 |
Maxtor Corporation |
Method and apparatus for optimization of servo parameter values in a data storage device
|
|
US6295514B1
(en)
|
1996-11-04 |
2001-09-25 |
3-Dimensional Pharmaceuticals, Inc. |
Method, system, and computer program product for representing similarity/dissimilarity between chemical compounds
|
|
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
|
|
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
|
|
ATE359561T1
(de)
|
1997-06-02 |
2007-05-15 |
Univ Johns Hopkins |
Rechnerverfahren freie energieberechnung für ligandenentwurf verwendend und die voraussage von bindenden zielen
|
|
CA2287848A1
(en)
|
1997-06-02 |
1998-12-10 |
The Regents Of The University Of California |
Prion protein modulator factor (ppmf) and prion resistant animals
|
|
US5962669A
(en)
*
|
1997-06-02 |
1999-10-05 |
The Regents Of The University Of California |
Nucleic acid encoding prion protein variant
|
|
US6336107B1
(en)
*
|
1997-07-31 |
2002-01-01 |
Matsushita Electric Industrial Co., Ltd |
Method and system of automatic arrangement of composing elements
|
|
EP1010094A4
(en)
*
|
1997-09-03 |
2001-03-07 |
Commw Scient Ind Res Org |
COMPONENT SCREENING SYSTEM
|
|
GB9720926D0
(en)
|
1997-10-03 |
1997-12-03 |
Molecular Sensors Ltd |
Intelligent control of nucleic amplification procedures including the polymerase chain reaction
|
|
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
|
|
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
|
|
US6069629A
(en)
*
|
1997-11-25 |
2000-05-30 |
Entelos, Inc. |
Method of providing access to object parameters within a simulation model
|
|
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
|
|
US5965352A
(en)
*
|
1998-05-08 |
1999-10-12 |
Rosetta Inpharmatics, Inc. |
Methods for identifying pathways of drug action
|
|
JP2003520940A
(ja)
*
|
1998-05-12 |
2003-07-08 |
アイシス・ファーマシューティカルス・インコーポレーテッド |
Rnaその他の生体分子の分子相互作用部位の修飾
|
|
EP1077993A4
(en)
*
|
1998-05-12 |
2004-09-08 |
Isis Pharmaceuticals Inc |
Generation of combinatorial libraries of compounds corresponding to virtual libraries of compounds
|
|
US6253168B1
(en)
|
1998-05-12 |
2001-06-26 |
Isis Pharmaceuticals, Inc. |
Generation of virtual combinatorial libraries of compounds
|
|
US7117131B2
(en)
*
|
1998-05-26 |
2006-10-03 |
Definiens Ag |
Method for characterizing a complex system
|
|
US6505180B1
(en)
|
1998-09-10 |
2003-01-07 |
Wm. L. Crowley & Associates, Inc. |
Information encoding and retrieval through synthetic genes
|
|
JP2002530727A
(ja)
*
|
1998-10-28 |
2002-09-17 |
グラクソ グループ リミテッド |
定量的構造活性相関におけるファーマコフォア・フィンガープリント並びにプライマリ・ライブラリの構築
|
|
EP1145149B1
(en)
*
|
1998-11-13 |
2005-04-06 |
Cellomics, Inc. |
Methods and system for efficient collection and storage of experimental data
|
|
EP1140737A2
(en)
*
|
1998-12-24 |
2001-10-10 |
Harvard University |
System and method for structure-based drug design that includes accurate prediction of binding free energy
|
|
WO2000043411A2
(en)
*
|
1999-01-25 |
2000-07-27 |
Combimatrix Corporation |
Method for combinatorial materials development
|
|
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
|
|
AU3873800A
(en)
*
|
1999-03-12 |
2000-09-28 |
William J. Mydlowec |
Method and apparatus for automated design of chemical synthesis routes
|
|
US20030220716A1
(en)
*
|
1999-03-12 |
2003-11-27 |
Pharmix Corporation |
Method and apparatus for automated design of chemical synthesis routes
|
|
JP2003524818A
(ja)
*
|
1999-04-16 |
2003-08-19 |
エンテロス・インコーポレーテッド |
コンピュータ・ベースのシステム・モデルを使用して、連結シミュレーション演算を実施する方法および装置
|
|
AU4661300A
(en)
*
|
1999-04-26 |
2000-11-10 |
Novascreen Biosciences Corporation |
Receptor selectivity mapping
|
|
US6969763B1
(en)
|
1999-05-12 |
2005-11-29 |
Isis Pharmaceuticals, Inc. |
Molecular interaction sites of interleukin-2 RNA and methods of modulating the same
|
|
US20030083483A1
(en)
*
|
1999-05-12 |
2003-05-01 |
Ecker David J. |
Molecular interaction sites of vimentin RNA and methods of modulating the same
|
|
CA2396495A1
(en)
|
2000-01-25 |
2001-08-02 |
Cellomics, Inc. |
Method and system for automated inference creation of physico-chemical interaction knowledge from databases of co-occurrence data
|
|
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
|
|
US6671627B2
(en)
|
2000-02-29 |
2003-12-30 |
3-D Pharmaceuticals, Inc. |
Method and computer program product for designing combinatorial arrays
|
|
US7039621B2
(en)
|
2000-03-22 |
2006-05-02 |
Johnson & Johnson Pharmaceutical Research & Development, L.L.C. |
System, method, and computer program product for representing object relationships in a multidimensional space
|
|
AU2001249805A1
(en)
|
2000-04-03 |
2001-10-15 |
3-Dimensional Pharmaceuticals, Inc. |
Method, system, and computer program product for representing object relationships in a multidimensional space
|
|
US6532076B1
(en)
*
|
2000-04-04 |
2003-03-11 |
Therma-Wave, Inc. |
Method and apparatus for multidomain data analysis
|
|
US6983233B1
(en)
|
2000-04-19 |
2006-01-03 |
Symyx Technologies, Inc. |
Combinatorial parameter space experiment design
|
|
US7356419B1
(en)
|
2000-05-05 |
2008-04-08 |
Cambridgesoft Corporation |
Deriving product information
|
|
US7272509B1
(en)
|
2000-05-05 |
2007-09-18 |
Cambridgesoft Corporation |
Managing product information
|
|
US20020164348A1
(en)
*
|
2000-05-24 |
2002-11-07 |
Karla Kirkegaard |
Inhibitors of viral infection
|
|
CA2419600A1
(en)
*
|
2000-08-22 |
2002-02-28 |
3-Dimensional Pharmaceuticals, Inc. |
Method, system, and computer program product for determining properties of combinatorial library products from features of library building blocks
|
|
JP2002082962A
(ja)
*
|
2000-09-08 |
2002-03-22 |
Hitachi Ltd |
エンジニアリングポータルサイトにおける情報提供方法
|
|
US6678619B2
(en)
*
|
2000-09-20 |
2004-01-13 |
Victor S. Lobanov |
Method, system, and computer program product for encoding and building products of a virtual combinatorial library
|
|
AU2001215557A1
(en)
*
|
2000-11-30 |
2002-06-11 |
Toyo Suisan Kaisha, Ltd. |
Method of designing the molecular structure of inhibitor to enzyme
|
|
US6996550B2
(en)
*
|
2000-12-15 |
2006-02-07 |
Symyx Technologies, Inc. |
Methods and apparatus for preparing high-dimensional combinatorial experiments
|
|
WO2002061419A1
(en)
*
|
2001-01-29 |
2002-08-08 |
3-Dimensional Pharmaceuticals, Inc. |
Method, system, and computer program product for analyzing combinatorial libraries
|
|
US7043415B1
(en)
*
|
2001-01-31 |
2006-05-09 |
Pharsight Corporation |
Interactive graphical environment for drug model generation
|
|
WO2002073373A2
(en)
*
|
2001-03-12 |
2002-09-19 |
Board Of Regents, University Of Texas System |
Ensemble-based strategy for the design of protein pharmaceuticals
|
|
WO2003084997A1
(en)
*
|
2001-04-10 |
2003-10-16 |
Transtech Pharma, Inc. |
Probes, systems and methods for drug discovery
|
|
US7130747B1
(en)
|
2001-05-31 |
2006-10-31 |
Los Alamos National Security, Llc |
High throughput screening of ligand binding to macromolecules using high resolution powder diffraction
|
|
AU2002344311A1
(en)
*
|
2001-05-31 |
2002-12-09 |
The Regents Of The University Of California |
Analysis of macromolecules, ligands and macromolecule-ligand complexes
|
|
US20030093229A1
(en)
*
|
2001-11-06 |
2003-05-15 |
Wang Ho Chris Meichung |
System and method for improved computer drug design
|
|
US7801685B2
(en)
*
|
2004-08-19 |
2010-09-21 |
Drug Design Methodologies, Llc |
System and method for improved computer drug design
|
|
US20100305930A1
(en)
*
|
2001-11-06 |
2010-12-02 |
Chris Meichung Wang Ho |
System and Method for Improved Computer Drug Design
|
|
US6907410B2
(en)
*
|
2001-11-07 |
2005-06-14 |
Institute For Information Industry |
Transportation crew dispatch method based on single day business
|
|
US20030095151A1
(en)
*
|
2001-11-20 |
2003-05-22 |
Shackleford J. Barry |
Real-time interactive adjustment of control parameters for a genetic algorithm computer
|
|
US20040002108A1
(en)
*
|
2002-05-23 |
2004-01-01 |
Vince Hilser |
Predicting the significance of single nucleotide polymorphisms (SNPs) using ensemble-based structural energetics
|
|
DE10233022B4
(de)
*
|
2002-07-20 |
2004-09-16 |
Zinn, Peter, Dr. |
Verfahren zur Lösung von Aufgaben der adaptiven Chemie
|
|
US20040254770A1
(en)
*
|
2003-06-11 |
2004-12-16 |
Gilson Michael Kenneth |
Fast assignment of partial atomic charges
|
|
US20050143919A1
(en)
*
|
2003-11-14 |
2005-06-30 |
Williams Robert E. |
Unified method and system for multi-dimensional mapping of spatial-energy relationships among micro and macro-events in the universe
|
|
EP1687735A4
(en)
*
|
2003-11-21 |
2007-02-14 |
Optive Res Inc |
SYSTEM AND METHOD FOR PROVIDING CANONIC STRUCTURAL REPRESENTATION OF CHEMICAL COMPOUNDS
|
|
EP1589463A1
(en)
*
|
2004-04-21 |
2005-10-26 |
Avantium International B.V. |
Molecular entity design method
|
|
US20060230097A1
(en)
*
|
2005-04-08 |
2006-10-12 |
Caterpillar Inc. |
Process model monitoring method and system
|
|
US7565333B2
(en)
*
|
2005-04-08 |
2009-07-21 |
Caterpillar Inc. |
Control system and method
|
|
US20060229852A1
(en)
*
|
2005-04-08 |
2006-10-12 |
Caterpillar Inc. |
Zeta statistic process method and system
|
|
US8209156B2
(en)
*
|
2005-04-08 |
2012-06-26 |
Caterpillar Inc. |
Asymmetric random scatter process for probabilistic modeling system for product design
|
|
US20060229753A1
(en)
*
|
2005-04-08 |
2006-10-12 |
Caterpillar Inc. |
Probabilistic modeling system for product design
|
|
US20060230018A1
(en)
*
|
2005-04-08 |
2006-10-12 |
Caterpillar Inc. |
Mahalanobis distance genetic algorithm (MDGA) method and system
|
|
US8364610B2
(en)
|
2005-04-08 |
2013-01-29 |
Caterpillar Inc. |
Process modeling and optimization method and system
|
|
US20060229854A1
(en)
*
|
2005-04-08 |
2006-10-12 |
Caterpillar Inc. |
Computer system architecture for probabilistic modeling
|
|
US7877239B2
(en)
*
|
2005-04-08 |
2011-01-25 |
Caterpillar Inc |
Symmetric random scatter process for probabilistic modeling system for product design
|
|
US20070021947A1
(en)
*
|
2005-07-22 |
2007-01-25 |
Honeywell International Inc. |
Model tuning system
|
|
US20070061144A1
(en)
*
|
2005-08-30 |
2007-03-15 |
Caterpillar Inc. |
Batch statistics process model method and system
|
|
US7487134B2
(en)
*
|
2005-10-25 |
2009-02-03 |
Caterpillar Inc. |
Medical risk stratifying method and system
|
|
US7499842B2
(en)
|
2005-11-18 |
2009-03-03 |
Caterpillar Inc. |
Process model based virtual sensor and method
|
|
US20070118487A1
(en)
*
|
2005-11-18 |
2007-05-24 |
Caterpillar Inc. |
Product cost modeling method and system
|
|
US7505949B2
(en)
*
|
2006-01-31 |
2009-03-17 |
Caterpillar Inc. |
Process model error correction method and system
|
|
US20070203810A1
(en)
*
|
2006-02-13 |
2007-08-30 |
Caterpillar Inc. |
Supply chain modeling method and system
|
|
US8478506B2
(en)
|
2006-09-29 |
2013-07-02 |
Caterpillar Inc. |
Virtual sensor based engine control system and method
|
|
US7483774B2
(en)
*
|
2006-12-21 |
2009-01-27 |
Caterpillar Inc. |
Method and system for intelligent maintenance
|
|
US20080154811A1
(en)
*
|
2006-12-21 |
2008-06-26 |
Caterpillar Inc. |
Method and system for verifying virtual sensors
|
|
US7787969B2
(en)
*
|
2007-06-15 |
2010-08-31 |
Caterpillar Inc |
Virtual sensor system and method
|
|
US7831416B2
(en)
|
2007-07-17 |
2010-11-09 |
Caterpillar Inc |
Probabilistic modeling system for product design
|
|
US7788070B2
(en)
*
|
2007-07-30 |
2010-08-31 |
Caterpillar Inc. |
Product design optimization method and system
|
|
US7542879B2
(en)
*
|
2007-08-31 |
2009-06-02 |
Caterpillar Inc. |
Virtual sensor based control system and method
|
|
US7593804B2
(en)
*
|
2007-10-31 |
2009-09-22 |
Caterpillar Inc. |
Fixed-point virtual sensor control system and method
|
|
US8036764B2
(en)
|
2007-11-02 |
2011-10-11 |
Caterpillar Inc. |
Virtual sensor network (VSN) system and method
|
|
US8224468B2
(en)
|
2007-11-02 |
2012-07-17 |
Caterpillar Inc. |
Calibration certificate for virtual sensor network (VSN)
|
|
US20090114387A1
(en)
*
|
2007-11-05 |
2009-05-07 |
Schlumberger Technology Corp. |
Methods for identifying compounds useful for producing heavy oils from underground reservoirs
|
|
WO2009111210A2
(en)
*
|
2008-02-29 |
2009-09-11 |
Peak Value Sarl |
Data management system and method for pharmaceutical development
|
|
US20090293457A1
(en)
*
|
2008-05-30 |
2009-12-03 |
Grichnik Anthony J |
System and method for controlling NOx reactant supply
|
|
US8086640B2
(en)
*
|
2008-05-30 |
2011-12-27 |
Caterpillar Inc. |
System and method for improving data coverage in modeling systems
|
|
US7917333B2
(en)
*
|
2008-08-20 |
2011-03-29 |
Caterpillar Inc. |
Virtual sensor network (VSN) based control system and method
|
|
US8793004B2
(en)
|
2011-06-15 |
2014-07-29 |
Caterpillar Inc. |
Virtual sensor system and method for generating output parameters
|
|
EP2795501A2
(en)
*
|
2011-12-21 |
2014-10-29 |
Life Technologies Corporation |
Methods and systems for in silico experimental designing and performing a biological workflow
|
|
GB201209239D0
(en)
*
|
2012-05-25 |
2012-07-04 |
Univ Glasgow |
Methods of evolutionary synthesis including embodied chemical synthesis
|
|
US20140180660A1
(en)
*
|
2012-12-14 |
2014-06-26 |
Life Technologies Holdings Pte Limited |
Methods and systems for in silico design
|
|
US10430395B2
(en)
*
|
2017-03-01 |
2019-10-01 |
International Business Machines Corporation |
Iterative widening search for designing chemical compounds
|
|
US10847254B2
(en)
*
|
2017-12-05 |
2020-11-24 |
Toyota Research Institute, Inc. |
Artificial intelligence based stable materials discovery process
|
|
GB201805300D0
(en)
*
|
2018-03-29 |
2018-05-16 |
Benevolentai Tech Limited |
Reinforcement Learning
|
|
CN112689876A
(zh)
*
|
2018-09-14 |
2021-04-20 |
富士胶片株式会社 |
化合物结构的生成方法、化合物结构的生成程序及化合物结构的生成装置
|
|
CN112689878A
(zh)
|
2018-09-14 |
2021-04-20 |
富士胶片株式会社 |
化合物搜索方法、化合物搜索程序、记录介质及化合物搜索装置
|
|
WO2020054839A1
(ja)
|
2018-09-14 |
2020-03-19 |
富士フイルム株式会社 |
化合物の合成適性の評価方法、化合物の合成適性の評価プログラム及び化合物の合成適性の評価装置
|
|
WO2020167872A1
(en)
*
|
2019-02-11 |
2020-08-20 |
Woodbury Neal W |
Systems, methods, and media for molecule design using machine learning mechanisms
|
|
US10515715B1
(en)
|
2019-06-25 |
2019-12-24 |
Colgate-Palmolive Company |
Systems and methods for evaluating compositions
|
|
JP7590697B2
(ja)
|
2019-08-19 |
2024-11-27 |
Jsr株式会社 |
化学構造発生装置、化学構造発生プログラム、及び化学構造発生方法
|
|
JP7395974B2
(ja)
*
|
2019-11-12 |
2023-12-12 |
株式会社レゾナック |
入力データ生成システム、入力データ生成方法、及び入力データ生成プログラム
|
|
CN113409898B
(zh)
*
|
2021-06-30 |
2022-05-27 |
北京百度网讯科技有限公司 |
分子结构获取方法、装置、电子设备及存储介质
|
|
EP4409580A4
(en)
*
|
2021-09-28 |
2025-08-06 |
De Shaw Res Llc |
JOINT GENERATION OF A MOLECULAR GRAPH AND A THREE-DIMENSIONAL GEOMETRY
|
|
US12334195B2
(en)
*
|
2021-12-22 |
2025-06-17 |
International Business Machines Corporation |
Optimization of multiple molecules
|
|
US12587274B2
(en)
|
2023-03-28 |
2026-03-24 |
Quantum Generative Materials Llc |
Satellite optimization management system based on natural language input and artificial intelligence
|
|
CN117059197A
(zh)
*
|
2023-08-29 |
2023-11-14 |
重庆康洲智通医药科技有限公司 |
一种ai药物分子结构设计方法
|
|
US12603701B2
(en)
|
2023-12-27 |
2026-04-14 |
Quantum Generative Materials Llc |
Distributed satellite constellation management and control system
|
|
US12368503B2
(en)
|
2023-12-27 |
2025-07-22 |
Quantum Generative Materials Llc |
Intent-based satellite transmit management based on preexisting historical location and machine learning
|