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6 research outputs found
The Comparative Molecular Surface Analysis (CoMSA) with Modified Uniformative Variable Elimination-PLS (UVE-PLS) Method: Application to the Steroids Binding the Aromatase Enzyme
Author
Anzali S.
Anzali S.
+22Â more
Beger D. R.
Brazma A.
Centner V.
Gastaiger J.
Gasteiger J.
Gasteiger J.
Gerstein M.
Golbraikh A.
Katrizky A. R.
Kohonen T.
Kubinyi H
Kubinyi H
Kubinyi H.
Polanski J
Polanski J
Polanski J.
Polanski J.
Polanski J.
Sadowski J.
Sadowski J.
Toronen P.
Zupan J.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
The Comparative Molecular Surface Analysis (COMSA) − A Nongrid 3D QSAR Method by a Coupled Neural Network and PLS System:  Predicting p K
Author
Andrzej Ba̧k
Anzali S.
+26Â more
Anzali S.
Gao H.
Garg R.
Gastaiger J.
Gasteiger J.
Gasteiger J.
Jain A. N.
Jarosław Polański
Katrizky A. R.
Kim K. H.
Kim K. H.
Kroemer R. T.
Kubinyi H
Kubinyi H
Kurup A.
Manallack D. T.
Martin Y. C.
Martin Y. C.
Norinder U
Polanski J.
Polański J
Polański J
Rafał Gieleciak
Robinson D. D.
Sadowski J.
Sadowski J.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Comparative Molecular Surface Analysis (CoMSA) for Modeling Dye−Fiber Affinities of the Azo and Anthraquinone Dyes
Author
Anzali S.
Anzali S.
+32Â more
Brazma A.
Fabian W. M. F.
Fabian W. M. F.
Funar-Timofei S.
Gastaiger J.
Gasteiger J.
Gasteiger J.
Gerstein M.
Golbraikh A.
Hasegawa K.
Jaroslaw Polanski
Katrizky A. R.
Kubinyi H
Kubinyi H
Miroslaw Wyszomirski
Oprea T. I.
Polanski J
Polanski J
Polanski J.
Polanski J.
Polanski J.
Polanski J.
Rafal Gieleciak
Sadowski J.
Sadowski J.
Timofei S.
Timofei S.
Timofei S.
Timofei S.
Timofei S.
Timofei S.
Toronen P.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Benzothiadiazine Dioxide Dibenzyl Derivatives as Potent Human Cytomegalovirus Inhibitors: Synthesis and Comparative Molecular Field Analysis
Author
Alford C. A.
Alkorta I.
+23Â more
Boivin G.
Castro A.
Castro A.
Chrisp P.
Cohen E.
Cramer R. D.
De Clercq E
Esteban A. I.
Faulds D.
Fowler K. B.
Frisch M. J.
Gastaiger J.
Goldman R. C.
Kloek J. A.
Martinez A.
Martinez A.
Martinez A.
Martinez A.
Martinez A.
MartÃnez A.
Molecular Modeling System
Pajeva I. K.
Perry C. M.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Inductive Electronegativity Scale. Iterative Calculation of Inductive Partial Charges
Author
Artem Cherkasov
Cherkasov A.
+33Â more
Cherkasov A.
Cherkasov A.
Cherkasov A.
Cherkasov A. R.
Cherkasov A. R.
Cherkasov A. R.
Cherkasov A. R.
Cherkasov A. R.
Cherkasov A. R.
Cherkasov A. R.
De Proft F.
Evans S.
Galkin V. I.
Galkin V. I.
Gastaiger J.
Hinze J.
Huheey E. J.
Huheey J. E.
Huheey J. E. J.
Iafrate G. J.
Jolly W. L.
Komorowski L.
Mullay J.
Parr R. G.
Pearson R. G.
Pearson R. W.
Pearson R. W.
Perdew J. P.
Ray N. K.
Sabin J. R.
Sanderson R. T.
Sanderson R. T.
Zisman G. A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
SAR and 3D-QSAR Studies on Thiadiazolidinone Derivatives: Exploration of Structural Requirements Glycogen Synthase Kinase 3 Inhibitors
Author
Al-Hasani H.
Alonso M.
+50Â more
Bayly C. I.
Bertrand J. A.
Bertrand J. A.
Bhat R.
Carpenter G.
Cheng H. C.
Cohen M. S.
Cohen P.
Cornell W. D.
Corrie J. E. T
Cramer R. D.
Dajani R.
Dewar M. J. S.
Dorronsoro I.
Gaillard P.
Gastaiger J.
Gelpi J. L.
Girard M. L.
Grimes C. A.
Hoeflich K. P.
Hoshitsugu A.
Janda K. D.
Kaidanovich O.
Leclerc S.
Lengyel I.
Leost M.
MacLauchlin C.
MacLauchlin C.
Martinez A.
Martinez A.
MartÃn-Aparicio E.
Mehler E. L.
Meijer L.
Meijer L.
Mishra S.
Molecular Modelling Package
Parker G. J.
Paul N.
Peet N. P.
Polychronopoulos P.
Robbins D. J.
Smith D. G.
Stewart J. J.
Sudo K.
Ter Haar E.
Walker A. M
Wauwe J. V.
Williams D. H.
Woodget J. R
Zumach G.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref