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5 research outputs found

SpecSolv: Artificially Intelligent or Artificially Innovative?

Author: Bremser W.
Carabédian M.
Dubois J. E.
Gray N. A. B
The Hose DARC
Will M.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Toward More Reliable 13

Author: Antony J. Williams
Beger R. D.
Bosque R.
Bremser W.
Bremser W. HOSE - A
Clerc J.-T.
Clouser D. L.
Da Costa F. B.
Elyashberg M. E.
Elyashberg M. E.
Fürst A.
Grant D. M.
Ivanciuc O.
Kaur J.
Kirill A. Blinov
Lucic B.
Meiler J.
Meiler J.
Mikhail E. Elyashberg
Pretsch E.
Reed J. J. R
Robien W.
Schaller R. B.
Schaller R. B.
Steinbeck C.
Tatiana S. Churanova
Yegor D. Smurnyy
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors

Author: Albert A.
Armarego W. L. F.
Barlow R. B.
Basolo F.
Bell P. H.
Box K.
Bremser W. HOSE - A
Clark R. D.
da Silva C. O.
Dewar M. J. S.
Edward J. T.
Ertl P.
Fukui K.
Gane R.
Gero A
Gross K. C.
Hilal S. H.
Ihlenfeldt W. D.
Marks B. S.
Sadowski J.
Schultz O. E.
Smith P. K.
Stewart J. J. P.
Tehan B. G.
Tehan B. G.
Tsai R.-S.
Weininger D. SMILES
Xing L.
Xing L.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries

Author: Ansgar Schuffenhauer
Bender A.
Breinbauer R.
Bremser W. HOSE - A
Clark D. E.
Eckert H.
Ertl P
Ertl P.
Ertl P.
Feher M.
Firn R. D.
Grabowski K.
Gupta S.
Haustedt L. O.
Henkel T.
Hert J.
Irwin J. J.
Japertas P.
Kingston D.
Koch M.
Lee M.-L.
Lipinski C.
Newman D. J.
Nören-Müller A.
Ormerod A.
Peter Ertl
Rogers D.
Rouhi A. M
Rouhi A. M
Schreiber S. L
Silvio Roggo
Stahura F. L.
Tan D. S
Wetzel S.
Wishart D. S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Prediction of 1H NMR Coupling Constants with Associative Neural Networks Trained for Chemical Shifts

Author: Abraham R. J.
Aires
Andersson F. O.
Asikainen A.
Binev Y.
Binev Y.
Bremser W. HOSE - A
Da Costa F. B.
Gabano E.
Gasteiger
Gasteiger J.
Gasteiger J.
Golotvin S. S.
Heine T.
Hemmer M. C.
Karplus M
Latino D.
Loss A.
Meiler J.
Meiler J.
Ohno M.
Perez M.
Perrin D. D.
Prediction
Pretsch E.
Rychnovsky S. D
Sadowski J.
Sadowski J.
Schaller R. B.
Shift
Tetko I. V
Tetko I. V.
Tetko I. V.
Web
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

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