1.0(top 50%)
impact factor
210(top 50%)
papers
6.2K(top 20%)
citations
38(top 20%)
h-index
1.1(top 50%)
impact factor
230
all documents
6.5K
doc citations
72(top 20%)
g-index

Top Articles

#TitleJournalYearCitations
1(null)Journal of Computer - Aided Molecular Design2000805
2The influence of lipophilicity on the pharmacokinetic behavior of drugs: Concepts and examplesJournal of Computer - Aided Molecular Design2000190
3Partial Least Squares (PLS): Its strengths and limitationsJournal of Computer - Aided Molecular Design1993188
4Observations on the strength of hydrogen bondingJournal of Computer - Aided Molecular Design2000179
5Novel software tools for chemical diversityJournal of Computer - Aided Molecular Design1998176
6Calculating partition coefficient by atom-additive methodJournal of Computer - Aided Molecular Design2000172
7Virtual screening with solvation and ligand-induced complementarityJournal of Computer - Aided Molecular Design2000138
8A good ligand is hard to find: Automated docking methodsJournal of Computer - Aided Molecular Design1993132
9Review of HIV-1 reverse transcriptase three-dimensional structure: Implications for drug designJournal of Computer - Aided Molecular Design1993127
10Crystal structures of HIV-1 protease-inhibitor complexesJournal of Computer - Aided Molecular Design1993117
11SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibilityJournal of Computer - Aided Molecular Design1995115
12A knowledge-based scoring function for protein-ligand interactions: Probing the reference stateJournal of Computer - Aided Molecular Design2000115
13Automated chemical hypothesis generation and database searching with Catalyst®Journal of Computer - Aided Molecular Design1995111
14ACD/Log P method descriptionJournal of Computer - Aided Molecular Design2000108
15Similarity and Dissimilarity: A Medicinal Chemist's ViewJournal of Computer - Aided Molecular Design1998107
16Viral cysteine proteinasesJournal of Computer - Aided Molecular Design1996106
17Mycophenolate mofetil: Molecular mechanisms of actionJournal of Computer - Aided Molecular Design1994105
18Estimating log P with atom/fragments and water solubility with log PJournal of Computer - Aided Molecular Design2000104
19(null)Journal of Computer - Aided Molecular Design2000100
20(null)Journal of Computer - Aided Molecular Design200092
21Role of hydrophobic effects in mechanistic QSARJournal of Computer - Aided Molecular Design199982
22Combination of molecular similarity measures using data fusionJournal of Computer - Aided Molecular Design200081
23Comparative molecular similarity indices analysis: CoMSIAJournal of Computer - Aided Molecular Design199880
24New 3D molecular descriptors: the WHIM theory and QSAR applicationsJournal of Computer - Aided Molecular Design199871
25(null)Journal of Computer - Aided Molecular Design200065
26(null)Journal of Computer - Aided Molecular Design200059
27Families and clans of cysteine peptidasesJournal of Computer - Aided Molecular Design199654
28Structure and function of scorpion toxins affecting K+-channelsJournal of Computer - Aided Molecular Design199951
29Substrate-based inhibitors of HIV-1 proteaseJournal of Computer - Aided Molecular Design199348
30Competitive inhibitors of human immunodeficiency virus reverse transcriptaseJournal of Computer - Aided Molecular Design199348
31The cysteine protease cathepsin B in cancerJournal of Computer - Aided Molecular Design199646
32Assemblin, a herpes virus serine maturational proteinase and new molecular target for antiviralsJournal of Computer - Aided Molecular Design199545
33In vitro and in silico affinity fingerprints: Finding similarities beyond structural classesJournal of Computer - Aided Molecular Design200045
343D QSAR: current state, scope, and limitationsJournal of Computer - Aided Molecular Design199844
35A critical review of recent CoMFA applicationsJournal of Computer - Aided Molecular Design199843
36Design and structure of symmetry-based inhibitors of HIV-1 proteaseJournal of Computer - Aided Molecular Design199342
37Non-nucleoside inhibitors of HIV-1 reverse transcriptaseJournal of Computer - Aided Molecular Design199341
38Free energies of hydration for organic molecules from Monte Carlo simulationsJournal of Computer - Aided Molecular Design199541
39The CoMFA steroids as a benchmark dataset for development of 3D QSAR methodsJournal of Computer - Aided Molecular Design199841
40Computational combinatorial chemistry for de novo ligand design: Review and assessmentJournal of Computer - Aided Molecular Design199540
41Dissimilarity-based compound selection techniquesJournal of Computer - Aided Molecular Design199639
42Partition-based selectionJournal of Computer - Aided Molecular Design199639
43The immunophilinsJournal of Computer - Aided Molecular Design199438
44The medicinal chemistry of FK-506Journal of Computer - Aided Molecular Design199438
45The HIV gp120-CD4 interaction: A target for pharmacological or immunological intervention?Journal of Computer - Aided Molecular Design199337
46The use of self-organizing neural networks in drug designJournal of Computer - Aided Molecular Design199837
47Estimating binding constants – The hydrophobic effect and cooperativityJournal of Computer - Aided Molecular Design199936
48The specificity of the HIV-1 proteaseJournal of Computer - Aided Molecular Design199335
49Recent insights into cysteine protease specificity: Lessons for drug designJournal of Computer - Aided Molecular Design199634
50Receptor-based prediction of binding affinitiesJournal of Computer - Aided Molecular Design199834