Lead-like, drug-like or “Pub-like”: how different are they?

By Oprea Tudor   Allu Tharun   Fara Dan   Rad Ramona   Ostopovici Lili   Bologa Cristian  

Journal of Computer-Aided Molecular Design, Vol. 21, Iss. 1-3, 2007-01 ,pp. : 113-119

Springer Publishing Company

Access to resources Recommend Favorite

Prediction of SAMPL2 aqueous solvation free energies and tautomeric ratios using the SM8, SM8AD, and SMD solvation models

By Ribeiro Raphael   Marenich Aleksandr   Cramer Christopher   Truhlar Donald  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 317-333

Springer Publishing Company

Access to resources Recommend Favorite

Exploring crowdsourcing: a viable solution towards achieving rapid and qualitative tasks

By Gupta Dinesh K.   Sharma Veerbala  

Library Hi Tech News incorporating Online and CD Notes, Vol. 30, Iss. 2, 2013-03 ,pp. : 14-20

Emerald Group Publishing Ltd

Access to resources Recommend Favorite

Prediction of standard Gibbs energies of the transfer of peptide anions from aqueous solution to nitrobenzene based on support vector machine and the heuristic method

By Feng Luan   Xiaoyun Zhang   Haixia Zhang   Ruisheng Zhang   Mancang Liu   Zhide Hu   Botao Fan  

Journal of Computer-Aided Molecular Design, Vol. 20, Iss. 1, 2006-01 ,pp. : 1-11

Springer Publishing Company

Access to resources Recommend Favorite

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge

By Klamt Andreas   Diedenhofen Michael  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 6-7, 2010-06 ,pp. : 621-625

Springer Publishing Company

Access to resources Recommend Favorite