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1
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33645422481
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Visual Basic: Microsoft® software; Microsoft Corporation, One Microsoft Way, Redmond, WA 98052-6399 USA
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Visual Basic: Microsoft® software; Microsoft Corporation, One Microsoft Way, Redmond, WA 98052-6399 USA.
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2
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33645409617
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SciTegic, 9665 Chesapeake Drive, Suite 401 San Diego, CA 92123-1365
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SciTegic, 9665 Chesapeake Drive, Suite 401 San Diego, CA 92123-1365.
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3
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33645407646
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Simple Object Access Protocol (SOAP) For information about the latest work on SOAP and a full list of SOAP specifications, please refer to the W3C XML Protocol Working Group and the list of W3C Technical Reports
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Simple Object Access Protocol (SOAP) For information about the latest work on SOAP and a full list of SOAP specifications, please refer to the W3C XML Protocol Working Group and the list of W3C Technical Reports.
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4
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33645382393
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For example, MDL's Reagent Selector: MDL Information Systems, Inc. San Leandro, CA, USA
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For example, MDL's Reagent Selector: MDL Information Systems, Inc. San Leandro, CA, USA.
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5
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0028953765
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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
-
Martin, E. J.; Blaney, J. M.; Siani, M. A.; Spellmeyer, D. C.; Wong, A. K.; Moos, W. H. Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery. J. Med. Chem. 1995, 38, 1431-1436.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1431-1436
-
-
Martin, E.J.1
Blaney, J.M.2
Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moos, W.H.6
-
6
-
-
26944468911
-
"Virtual Library Tool Kit: Comparison of functional group queries with Daylight and ISIS software"
-
(submitted)
-
Kraker, B.; Chakravorty, S. J.; Mosley, R.; Culberson, J. C.; Feuston, B. P.; Sheridan, R. P.; Conway, J. F.; Forbes, J. K.; Kearsley, S. K. "Virtual Library Tool Kit: Comparison of functional group queries with Daylight and ISIS software" (submitted).
-
-
-
Kraker, B.1
Chakravorty, S.J.2
Mosley, R.3
Culberson, J.C.4
Feuston, B.P.5
Sheridan, R.P.6
Conway, J.F.7
Forbes, J.K.8
Kearsley, S.K.9
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7
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33645381290
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"Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Basis Set Selection"
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(in print JCIM)
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Mosley, R. T.; Culberson, J. C.; Kraker, B.; Feuston, B. P.; Sheridan, R. P.; Conway‡, J. F.; Forbes, J. K.; Chakravorty, S. J.; Kearsley. S. K. "Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Basis Set Selection" (in print JCIM).
-
-
-
Mosley, R.T.1
Culberson, J.C.2
Kraker, B.3
Feuston, B.P.4
Sheridan, R.P.5
Conway, J.F.6
Forbes, J.K.7
Chakravorty, S.J.8
Kearsley, S.K.9
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8
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33645381507
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MDL Information Systems, Inc. San Leandro, CA, USA
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MDL Information Systems, Inc. San Leandro, CA, USA.
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-
-
-
9
-
-
0023965741
-
"SMILES, a chemical language and information-system. 1. Introduction to methodology and encoding rules"
-
Weininger D. "SMILES, a chemical language and information-system. 1. introduction to methodology and encoding rules". J. Chem. Inf. Comp. Sci. 1988, 28(#1), 31-36.
-
(1988)
J. Chem. Inf. Comp. Sci.
, vol.28
, Issue.1
, pp. 31-36
-
-
Weininger, D.1
-
10
-
-
33645395742
-
"Daylight CIS Systems Administration"
-
Daylight CIS, Inc., Irvine, CA
-
Weininger, D. and James, C. A. "Daylight CIS Systems Administration", Daylight CIS, Inc., Irvine, CA 1993.
-
(1993)
-
-
Weininger, D.1
James, C.A.2
-
11
-
-
0032561511
-
Rapid identification of subtype-selective agonists of the somatostatin receptor through combinatorial chemistry
-
Rohrer, S. P.; Birzin, E. T.; Mosley, R. T.; Berk, S. C.; Hutchins, S. M.; Shen, D.-M.; Xiong, Y.; Hayes, E. C.; Parmar, R. M.; Foor, F.; Mitra, S. W.; Degrado, S. J.; Shu, M.; Klopp, J. M.; Cai, S.-J.; Blake, A.; Chan, W. W. S.; Pasternak, A.; Yang, L.; Patchett, A. A.; Smith, R. G.; Chapman, K. T.; Schaeffer, J. M. Rapid identification of subtype-selective agonists of the somatostatin receptor through combinatorial chemistry. Science 1998, 282, 737-740.
-
(1998)
Science
, vol.282
, pp. 737-740
-
-
Rohrer, S.P.1
Birzin, E.T.2
Mosley, R.T.3
Berk, S.C.4
Hutchins, S.M.5
Shen, D.-M.6
Xiong, Y.7
Hayes, E.C.8
Parmar, R.M.9
Foor, F.10
Mitra, S.W.11
Degrado, S.J.12
Shu, M.13
Klopp, J.M.14
Cai, S.-J.15
Blake, A.16
Chan, W.W.S.17
Pasternak, A.18
Yang, L.19
Patchett, A.A.20
Smith, R.G.21
Chapman, K.T.22
Schaeffer, J.M.23
more..
-
12
-
-
0033186776
-
A Combinatorial Approach toward the Discovery of Non-Peptide, Subtype-Selective Somatostatin Receptor Ligands
-
Berk, S. C.; Rohrer, S. P.; Degrado, S. J.; Birzin, E. T.; Mosley, R. T.; Hutchins, S. M.; Pasternak, A.; Schaeffer, J. M.; Underwood, D. J.; Chapman, K. T. A Combinatorial Approach toward the Discovery of Non-Peptide, Subtype-Selective Somatostatin Receptor Ligands, J. Comb. Chem. 1999, 1, 388-396.
-
(1999)
J. Comb. Chem.
, vol.1
, pp. 388-396
-
-
Berk, S.C.1
Rohrer, S.P.2
Degrado, S.J.3
Birzin, E.T.4
Mosley, R.T.5
Hutchins, S.M.6
Pasternak, A.7
Schaeffer, J.M.8
Underwood, D.J.9
Chapman, K.T.10
-
13
-
-
0027662829
-
PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases
-
Bush, B. L.; Sheridan, R. P. PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases. J. Chem. Inf. Comput. Sci. 1993, 33, 756-762.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 756-762
-
-
Bush, B.L.1
Sheridan, R.P.2
-
14
-
-
33645408581
-
-
MDL® Available Chemicals Directory (MDL ACD)
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MDL® Available Chemicals Directory (MDL ACD).
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-
-
-
15
-
-
0342645323
-
Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
-
Brown, R. D.; Martin, Y. C. Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-584
-
-
Brown, R.D.1
Martin, Y.C.2
-
16
-
-
0015680655
-
Clustering using a similarity method based on shared nearest neighbours
-
Jarvis, R.A. and Patrick, E.A. Clustering using a similarity method based on shared nearest neighbours. IEEE Transactions on Computers C-22, 1973, 1025-1034.
-
(1973)
IEEE Transactions on Computers
, vol.22 C
, pp. 1025-1034
-
-
Jarvis, R.A.1
Patrick, E.A.2
-
17
-
-
33645405357
-
"Efficient methods for computing flexible similarity measures"
-
Abs. of Papers of ACS, 15-COMP
-
Weininger D. "Efficient methods for computing flexible similarity measures". Abs. of Papers of ACS, 1990, 200, 15-COMP.
-
(1990)
, vol.200
-
-
Weininger, D.1
-
18
-
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33645393705
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Javascript: Netscape World Headquarters, P.O. BOX 7050 MOUNTAIN VIEW, CA 94039-7050
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Javascript: Netscape World Headquarters, P.O. BOX 7050 MOUNTAIN VIEW, CA 94039-7050.
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19
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0033217178
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"Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design"
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Leach, A.R.; Bradshaw, J.; Green, D. V. S.; Hann, M. M.; Delany, J. J. III. "Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design". J. Chemical Inf. and Comput. Sci. 1999, 39(6), 1161-1172.
-
(1999)
J. Chemical Inf. and Comput. Sci.
, vol.39
, Issue.6
, pp. 1161-1172
-
-
Leach, A.R.1
Bradshaw, J.2
Green, D.V.S.3
Hann, M.M.4
Delany III, J.J.5
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20
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33645420486
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ChemOffice®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA
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ChemOffice®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA.
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21
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33645414579
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ChemDraw®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA
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ChemDraw®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA.
-
-
-
-
22
-
-
33645398804
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Topological fusion of fragments for library design, Molecular Systems, Merck Research Laboratories
-
fuserk: (unpublished)
-
Kearsley, S.K. fuserk: Topological fusion of fragments for library design, Molecular Systems, Merck Research Laboratories. (unpublished).
-
-
-
Kearsley, S.K.1
-
23
-
-
33645384244
-
-
Available from Daylight Chemical Information Systems, Inc. (27401 Los Altos, Suite 360, Mission Viejo, CA 92691
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Available from Daylight Chemical Information Systems, Inc. (27401 Los Altos, Suite 360, Mission Viejo, CA 92691; http://www.daylight.com).
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-
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24
-
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33645405614
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Stream based molecular addition tool for all types of molecular/atomic data. Molecular Systems, Merck Research Laboratories
-
add: (unpublished)
-
Culberson, J.C. add: Stream based molecular addition tool for all types of molecular/atomic data. Molecular Systems, Merck Research Laboratories (unpublished).
-
-
-
Culberson, J.C.1
-
25
-
-
0035324941
-
"Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations"
-
Feuston, B. P.; Miller, M. D.; Culberson, J. C.; Nachbar, R. B. and Kearsley, S. K. "Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations". J. Chem. Inf. Comput. Sci. 2001, 41, 754-763.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 754-763
-
-
Feuston, B.P.1
Miller, M.D.2
Culberson, J.C.3
Nachbar, R.B.4
Kearsley, S.K.5
-
26
-
-
0033606945
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"Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds"
-
Julián-Ortiz, J.V.; Gálvez, J.; Muñoz-Collado, C.; García-Domenech, R. and Gimeno-Cardona, C. "Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds". J. Med. Chem., 1999, 42(17), 3308-3314.
-
(1999)
J. Med. Chem.
, vol.42
, Issue.17
, pp. 3308-3314
-
-
Julián-Ortiz, J.V.1
Gálvez, J.2
Muñoz-Collado, C.3
García-Domenech, R.4
Gimeno-Cardona, C.5
-
27
-
-
33645385662
-
-
Scalable Vector Graphics: World Wide Web Consortium Process Document, 8 February
-
Scalable Vector Graphics: World Wide Web Consortium Process Document, 8 February 2001.
-
(2001)
-
-
-
28
-
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33645384476
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MDL Drug Data Report version 2 is distributed by Molecular Design Ltd., San Leandro, CA
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MDL Drug Data Report version 2 is distributed by Molecular Design Ltd., San Leandro, CA 2002.
-
(2002)
-
-
-
29
-
-
84988109729
-
"Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity"
-
Ghose, A. K. Crippen, G. M. "Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity". J. Comput. Chem. 1986, 7, 565-577.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 565-577
-
-
Ghose, A.K.1
Crippen, G.M.2
-
30
-
-
33645418724
-
Molecular Systems
-
Merck Research Laboratories (unpublished)
-
Culberson, J.C. Molecular Systems, Merck Research Laboratories (unpublished).
-
-
-
Culberson, J.C.1
-
31
-
-
0032811868
-
"Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration"
-
Clark, D. E. "Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration". J. Pharm. Sci. 1999, 88, 815-821.
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 815-821
-
-
Clark, D.E.1
|