Zobrazeno 1 - 10
of 46
pro vyhledávání: '"Chris L. Waller"'
Autor:
Scott A. Johnson, Terry R. Stouch, M. Katharine Holloway, Chris L. Waller, Dimitris K. Agrafiotis, Alexander Tropsha, Charles H. Reynolds
Publikováno v:
Journal of Computer-Aided Molecular Design. 32:723-729
Autor:
Chris L. Waller, Charlie Zhenyu Chang, Frank K Brown, Farida Kopti, Scott A. Johnson, Meir Glick
Publikováno v:
The AAPS Journal. 19:1255-1263
Merck & Co., Inc., Kenilworth, NJ, USA, is undergoing a transformation in the way that it prosecutes R&D programs. Through the adoption of a “model-driven” culture, enhanced R&D productivity is anticipated, both in the form of decreased attrition
Autor:
Thierry Kogej, Chris L. Waller, Darren V. S. Green, Anandkumar Raichurkar, George Papadatos, Andreas Verras, Julie Clark, Peter Gedeck, Jeremy N. Burrows, R. Kiplin Guy, Anang A. Shelat, Manoranjan Panda
Publikováno v:
Journal of chemical information and modeling. 57(3)
The development of new antimalarial therapies is essential, and lowering the barrier of entry for the screening and discovery of new lead compound classes can spur drug development at organizations that may not have large compound screening libraries
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 1289
Fragment based screening (FBS) has emerged as a mainstream lead discovery strategy in academia, biotechnology start-ups, and large pharma. As a prerequisite of FBS, a structurally diverse library of fragments is desirable in order to identify chemica
Publikováno v:
Methods in Molecular Biology ISBN: 9781493924851
Fragment based screening (FBS) has emerged as a mainstream lead discovery strategy in academia, biotechnology start-ups, and large pharma. As a prerequisite of FBS, a structurally diverse library of fragments is desirable in order to identify chemica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ce7154dcc42f27cacd518fdad818ea7
https://doi.org/10.1007/978-1-4939-2486-8_5
https://doi.org/10.1007/978-1-4939-2486-8_5
Autor:
Mary P. Bradley, Chris L. Waller
Publikováno v:
Journal of Chemical Information and Computer Sciences. 41:1301-1307
Comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-activity relationship (3D-QSAR) technique, has proven to be a valuable tool in the field of rational drug design. In its native form, CoMFA utilizes a pseudorece
Autor:
Gabriele Cruciani, James H. Wikel, Steven A. Wrighton, Sean Ekins, Peter W. Swaan, Chris L. Waller
Publikováno v:
Journal of Pharmacological and Toxicological Methods. 44:251-272
Understanding the development of a scientific approach is a valuable exercise in gauging the potential directions the process could take in the future. The relatively short history of applying computational methods to absorption, distribution, metabo
Publikováno v:
Journal of Chemical Information and Computer Sciences. 39:738-746
We have developed a novel method for molecular diversity sampling called SAGE (simulated annealing guided evaluation of molecular diversity). Compounds in chemical databases or virtual combinatorial libraries are conventionally represented as points
Autor:
Mary P. Bradley, Chris L. Waller
Publikováno v:
Journal of Chemical Information and Computer Sciences. 39:345-355
Variable selection is typically a time-consuming and ambiguous procedure in performing quantitative structure−activity relationship (QSAR) studies on overdetermined (regressor-heavy) data sets. A variety of techniques including stepwise and partial
Autor:
Chris L. Waller, James D. McKinney
Publikováno v:
Journal of Toxicology and Environmental Health, Part B. 1:27-58
The potential of ostensibly structurally diverse environmental chemicals to modulate endocrine processes in biological systems has been recognized. Difficulty in classifying endocrine system modulators by chemical structure may in large part be due t